PubChemLite - 7-ethylcamptothecin (C22H20N2O4)

Structural Information

Molecular Formula

SMILES

CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=CC=CC=C51

InChI

InChI=1S/C22H20N2O4/c1-3-12-13-7-5-6-8-17(13)23-19-14(12)10-24-18(19)9-16-15(20(24)25)11-28-21(26)22(16,27)4-2/h5-9,27H,3-4,10-11H2,1-2H3/t22-/m0/s1

InChIKey

MYQKIWCVEPUPIL-QFIPXVFZSA-N

Compound name

(19S)-10,19-diethyl-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]+	377.14958	189.8
[M+Na]+	399.13152	201.5
[M-H]-	375.13502	194.4
[M+NH4]+	394.17612	205.3
[M+K]+	415.10546	195.7
[M+H-H2O]+	359.13956	180.5
[M+HCOO]-	421.14050	202.1
[M+CH3COO]-	435.15615	199.8
[M+Na-2H]-	397.11697	193.8
[M]+	376.14175	193.8
[M]-	376.14285	193.8

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

377.14958

189.8

[M+Na]+

399.13152

201.5

[M-H]-

375.13502

194.4

[M+NH4]+

394.17612

205.3

[M+K]+

415.10546

195.7

[M+H-H2O]+

359.13956

180.5

[M+HCOO]-

421.14050

202.1

[M+CH3COO]-

435.15615

199.8

[M+Na-2H]-

397.11697

193.8

[M]+

376.14175

193.8

[M]-

376.14285

193.8

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

7-ethylcamptothecin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe