PubChemLite - Camptothecin, acetate (C22H18N2O5)

Structural Information

Molecular Formula

SMILES

CCC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)OC(=O)C

InChI

InChI=1S/C22H18N2O5/c1-3-22(29-12(2)25)16-9-18-19-14(8-13-6-4-5-7-17(13)23-19)10-24(18)20(26)15(16)11-28-21(22)27/h4-9H,3,10-11H2,1-2H3

InChIKey

ASVIEXKOXDCZDF-UHFFFAOYSA-N

Compound name

(19-ethyl-14,18-dioxo-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4,6,8,10,15(20)-heptaen-19-yl) acetate

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]+	391.12886	190.4
[M+Na]+	413.11080	201.3
[M-H]-	389.11430	196.1
[M+NH4]+	408.15540	205.4
[M+K]+	429.08474	197.0
[M+H-H2O]+	373.11884	180.8
[M+HCOO]-	435.11978	203.5
[M+CH3COO]-	449.13543	200.6
[M+Na-2H]-	411.09625	194.7
[M]+	390.12103	195.8
[M]-	390.12213	195.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

391.12886

190.4

[M+Na]+

413.11080

201.3

[M-H]-

389.11430

196.1

[M+NH4]+

408.15540

205.4

[M+K]+

429.08474

197.0

[M+H-H2O]+

373.11884

180.8

[M+HCOO]-

435.11978

203.5

[M+CH3COO]-

449.13543

200.6

[M+Na-2H]-

411.09625

194.7

[M]+

390.12103

195.8

[M]-

390.12213

195.8

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

Camptothecin, acetate

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe