PubChemLite - 510762-19-3 (C20H23N5O3)

Structural Information

Molecular Formula

SMILES

CCCN1C2=C(C=C(C1=N)C(=O)NCC3CCCO3)C(=O)N4C=CC=CC4=N2

InChI

InChI=1S/C20H23N5O3/c1-2-8-25-17(21)14(19(26)22-12-13-6-5-10-28-13)11-15-18(25)23-16-7-3-4-9-24(16)20(15)27/h3-4,7,9,11,13,21H,2,5-6,8,10,12H2,1H3,(H,22,26)

InChIKey

QNZOZCVRGAONMP-UHFFFAOYSA-N

Compound name

6-imino-2-oxo-N-(oxolan-2-ylmethyl)-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide

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]+	382.18736	190.7
[M+Na]+	404.16930	199.2
[M-H]-	380.17280	196.4
[M+NH4]+	399.21390	200.3
[M+K]+	420.14324	193.9
[M+H-H2O]+	364.17734	180.2
[M+HCOO]-	426.17828	208.8
[M+CH3COO]-	440.19393	200.0
[M+Na-2H]-	402.15475	194.7
[M]+	381.17953	192.9
[M]-	381.18063	192.9

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

382.18736

190.7

[M+Na]+

404.16930

199.2

[M-H]-

380.17280

196.4

[M+NH4]+

399.21390

200.3

[M+K]+

420.14324

193.9

[M+H-H2O]+

364.17734

180.2

[M+HCOO]-

426.17828

208.8

[M+CH3COO]-

440.19393

200.0

[M+Na-2H]-

402.15475

194.7

[M]+

381.17953

192.9

[M]-

381.18063

192.9

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

510762-19-3

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

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