PubChemLite - 5h,14bh-14a,14c-ethano-3h-[1,3]dioxolo[5,6]indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-13(14h)-one, 6,6a-dihydro-, (6as,14bs)- (C20H20N2O3)

Structural Information

Molecular Formula

SMILES

C1CN2CC=CC34[C@H]2C5([C@@H]1C6=CC7=C(C=C6N5C(=O)C3)OCO7)CC4

InChI

InChI=1S/C20H20N2O3/c23-17-10-19-3-1-6-21-7-2-13-12-8-15-16(25-11-24-15)9-14(12)22(17)20(13,5-4-19)18(19)21/h1,3,8-9,13,18H,2,4-7,10-11H2/t13-,18-,19?,20?/m0/s1

InChIKey

DTBOGXTYLFTPCH-QRHNHHDZSA-N

Compound name

(14S,18S)-8,10-dioxa-4,17-diazaheptacyclo[15.4.3.01,18.04,19.05,13.07,11.014,19]tetracosa-5,7(11),12,22-tetraen-3-one

Related CIDs

2D Structure

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	337.15468	169.2
[M+Na]+	359.13662	176.9
[M-H]-	335.14012	175.8
[M+NH4]+	354.18122	191.2
[M+K]+	375.11056	172.6
[M+H-H2O]+	319.14466	160.4
[M+HCOO]-	381.14560	176.8
[M+CH3COO]-	395.16125	179.2
[M+Na-2H]-	357.12207	169.5
[M]+	336.14685	168.1
[M]-	336.14795	168.1

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

337.15468

169.2

[M+Na]+

359.13662

176.9

[M-H]-

335.14012

175.8

[M+NH4]+

354.18122

191.2

[M+K]+

375.11056

172.6

[M+H-H2O]+

319.14466

160.4

[M+HCOO]-

381.14560

176.8

[M+CH3COO]-

395.16125

179.2

[M+Na-2H]-

357.12207

169.5

[M]+

336.14685

168.1

[M]-

336.14795

168.1

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.

5h,14bh-14a,14c-ethano-3h-[1,3]dioxolo[5,6]indolo[3,2,1-de]pyrido[3,2,1-ij][1,5]naphthyridin-13(14h)-one, 6,6a-dihydro-, (6as,14bs)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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