PubChemLite - Camptothecin (C20H16N2O4)

Structural Information

Molecular Formula

SMILES

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)O

InChI

InChI=1S/C20H16N2O4/c1-2-20(25)14-8-16-17-12(7-11-5-3-4-6-15(11)21-17)9-22(16)18(23)13(14)10-26-19(20)24/h3-8,25H,2,9-10H2,1H3/t20-/m0/s1

InChIKey

VSJKWCGYPAHWDS-FQEVSTJZSA-N

Compound name

(19S)-19-ethyl-19-hydroxy-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]+	349.11828	181.8
[M+Na]+	371.10022	197.4
[M+NH4]+	366.14482	191.4
[M+K]+	387.07416	189.7
[M-H]-	347.10372	185.4
[M+Na-2H]-	369.08567	185.4
[M]+	348.11045	185.3
[M]-	348.11155	185.3

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

349.11828

181.8

[M+Na]+

371.10022

197.4

[M+NH4]+

366.14482

191.4

[M+K]+

387.07416

189.7

[M-H]-

347.10372

185.4

[M+Na-2H]-

369.08567

185.4

[M]+

348.11045

185.3

[M]-

348.11155

185.3

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

Camptothecin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe