PubChemLite - 1h-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4h,12h)-dione, 4-ethyl-4-hydroxy-11-propyl-, (s)- (C23H22N2O4)

Structural Information

Molecular Formula

SMILES

CCCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=CC=CC=C51

InChI

InChI=1S/C23H22N2O4/c1-3-7-13-14-8-5-6-9-18(14)24-20-15(13)11-25-19(20)10-17-16(21(25)26)12-29-22(27)23(17,28)4-2/h5-6,8-10,28H,3-4,7,11-12H2,1-2H3/t23-/m0/s1

InChIKey

SZTZIXLREYEION-QHCPKHFHSA-N

Compound name

(19S)-19-ethyl-19-hydroxy-10-propyl-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaene-14,18-dione

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]+	391.16524	194.3
[M+Na]+	413.14718	205.5
[M-H]-	389.15068	198.7
[M+NH4]+	408.19178	209.2
[M+K]+	429.12112	199.6
[M+H-H2O]+	373.15522	184.8
[M+HCOO]-	435.15616	206.3
[M+CH3COO]-	449.17181	203.9
[M+Na-2H]-	411.13263	197.8
[M]+	390.15741	198.7
[M]-	390.15851	198.7

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

391.16524

194.3

[M+Na]+

413.14718

205.5

[M-H]-

389.15068

198.7

[M+NH4]+

408.19178

209.2

[M+K]+

429.12112

199.6

[M+H-H2O]+

373.15522

184.8

[M+HCOO]-

435.15616

206.3

[M+CH3COO]-

449.17181

203.9

[M+Na-2H]-

411.13263

197.8

[M]+

390.15741

198.7

[M]-

390.15851

198.7

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

1h-pyrano(3',4':6,7)indolizino(1,2-b)quinoline-3,14(4h,12h)-dione, 4-ethyl-4-hydroxy-11-propyl-, (s)-

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

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