PubChemLite - 10-hydroxycamptothecin (C20H16N2O5)

Structural Information

Molecular Formula

SMILES

CC[C@@]1(C2=C(COC1=O)C(=O)N3CC4=C(C3=C2)N=C5C=CC(=CC5=C4)O)O

InChI

InChI=1S/C20H16N2O5/c1-2-20(26)14-7-16-17-11(5-10-6-12(23)3-4-15(10)21-17)8-22(16)18(24)13(14)9-27-19(20)25/h3-7,23,26H,2,8-9H2,1H3/t20-/m0/s1

InChIKey

HAWSQZCWOQZXHI-FQEVSTJZSA-N

Compound name

(19S)-19-ethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2(11),3,5,7,9,15(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]+	365.11321	183.2
[M+Na]+	387.09515	195.2
[M-H]-	363.09865	187.0
[M+NH4]+	382.13975	198.5
[M+K]+	403.06909	189.9
[M+H-H2O]+	347.10319	174.7
[M+HCOO]-	409.10413	194.9
[M+CH3COO]-	423.11978	193.4
[M+Na-2H]-	385.08060	188.4
[M]+	364.10538	186.6
[M]-	364.10648	186.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

365.11321

183.2

[M+Na]+

387.09515

195.2

[M-H]-

363.09865

187.0

[M+NH4]+

382.13975

198.5

[M+K]+

403.06909

189.9

[M+H-H2O]+

347.10319

174.7

[M+HCOO]-

409.10413

194.9

[M+CH3COO]-

423.11978

193.4

[M+Na-2H]-

385.08060

188.4

[M]+

364.10538

186.6

[M]-

364.10648

186.6

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

10-hydroxycamptothecin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe