PubChemLite - Camptothecin, n-methylglycinate ester (C23H21N3O5)

Structural Information

Molecular Formula

SMILES

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

InChI

InChI=1S/C23H21N3O5/c1-3-23(31-19(27)10-24-2)16-9-18-20-14(8-13-6-4-5-7-17(13)25-20)11-26(18)21(28)15(16)12-30-22(23)29/h4-9,24H,3,10-12H2,1-2H3

InChIKey

VKZTYDFCSYWAFX-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) 2-(methylamino)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]+	420.15541	197.1
[M+Na]+	442.13735	206.5
[M-H]-	418.14085	202.4
[M+NH4]+	437.18195	210.5
[M+K]+	458.11129	202.3
[M+H-H2O]+	402.14539	187.1
[M+HCOO]-	464.14633	210.8
[M+CH3COO]-	478.16198	206.3
[M+Na-2H]-	440.12280	202.0
[M]+	419.14758	202.2
[M]-	419.14868	202.2

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

420.15541

197.1

[M+Na]+

442.13735

206.5

[M-H]-

418.14085

202.4

[M+NH4]+

437.18195

210.5

[M+K]+

458.11129

202.3

[M+H-H2O]+

402.14539

187.1

[M+HCOO]-

464.14633

210.8

[M+CH3COO]-

478.16198

206.3

[M+Na-2H]-

440.12280

202.0

[M]+

419.14758

202.2

[M]-

419.14868

202.2

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

Camptothecin, n-methylglycinate ester

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe