PubChemLite - Camptothecin butylglycinate ester hydrochloride (C26H27N3O5)

Structural Information

Molecular Formula

SMILES

CCCCNCC(=O)OC1(C2=C(COC1=O)C(=O)N3CC4=CC5=CC=CC=C5N=C4C3=C2)CC

InChI

InChI=1S/C26H27N3O5/c1-3-5-10-27-13-22(30)34-26(4-2)19-12-21-23-17(11-16-8-6-7-9-20(16)28-23)14-29(21)24(31)18(19)15-33-25(26)32/h6-9,11-12,27H,3-5,10,13-15H2,1-2H3

InChIKey

FWVZSGURLZHYFS-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-(butylamino)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]+	462.20235	210.5
[M+Na]+	484.18429	218.3
[M-H]-	460.18779	215.0
[M+NH4]+	479.22889	222.0
[M+K]+	500.15823	213.7
[M+H-H2O]+	444.19233	199.9
[M+HCOO]-	506.19327	223.1
[M+CH3COO]-	520.20892	218.2
[M+Na-2H]-	482.16974	213.8
[M]+	461.19452	216.4
[M]-	461.19562	216.4

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

462.20235

210.5

[M+Na]+

484.18429

218.3

[M-H]-

460.18779

215.0

[M+NH4]+

479.22889

222.0

[M+K]+

500.15823

213.7

[M+H-H2O]+

444.19233

199.9

[M+HCOO]-

506.19327

223.1

[M+CH3COO]-

520.20892

218.2

[M+Na-2H]-

482.16974

213.8

[M]+

461.19452

216.4

[M]-

461.19562

216.4

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

Camptothecin butylglycinate ester hydrochloride

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe