PubChemLite - 7-ethyl-10-hydroxycamptothecin (C22H20N2O5)

Structural Information

Molecular Formula

SMILES

CCC1=C2CN3C(=CC4=C(C3=O)COC(=O)[C@@]4(CC)O)C2=NC5=C1C=C(C=C5)O

InChI

InChI=1S/C22H20N2O5/c1-3-12-13-7-11(25)5-6-17(13)23-19-14(12)9-24-18(19)8-16-15(20(24)26)10-29-21(27)22(16,28)4-2/h5-8,25,28H,3-4,9-10H2,1-2H3/t22-/m0/s1

InChIKey

FJHBVJOVLFPMQE-QFIPXVFZSA-N

Compound name

(19S)-10,19-diethyl-7,19-dihydroxy-17-oxa-3,13-diazapentacyclo[11.8.0.02,11.04,9.015,20]henicosa-1(21),2,4(9),5,7,10,15(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]+	393.14448	194.5
[M+Na]+	415.12642	209.3
[M+NH4]+	410.17102	202.9
[M+K]+	431.10036	202.4
[M-H]-	391.12992	197.3
[M+Na-2H]-	413.11187	196.1
[M]+	392.13665	197.6
[M]-	392.13775	197.6

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

393.14448

194.5

[M+Na]+

415.12642

209.3

[M+NH4]+

410.17102

202.9

[M+K]+

431.10036

202.4

[M-H]-

391.12992

197.3

[M+Na-2H]-

413.11187

196.1

[M]+

392.13665

197.6

[M]-

392.13775

197.6

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

7-ethyl-10-hydroxycamptothecin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe