PubChemLite - Cipargamin (C19H14Cl2FN3O)

Structural Information

Molecular Formula

SMILES

C[C@H]1CC2=C([C@]3(N1)C4=C(C=CC(=C4)Cl)NC3=O)NC5=CC(=C(C=C25)F)Cl

InChI

InChI=1S/C19H14Cl2FN3O/c1-8-4-11-10-6-14(22)13(21)7-16(10)23-17(11)19(25-8)12-5-9(20)2-3-15(12)24-18(19)26/h2-3,5-8,23,25H,4H2,1H3,(H,24,26)/t8-,19+/m0/s1

InChIKey

CKLPLPZSUQEDRT-WPCRTTGESA-N

Compound name

(3R,3'S)-5,7'-dichloro-6'-fluoro-3'-methylspiro[1H-indole-3,1'-2,3,4,9-tetrahydropyrido[3,4-b]indole]-2-one

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]+	390.05708	184.4
[M+Na]+	412.03902	199.4
[M+NH4]+	407.08362	193.8
[M+K]+	428.01296	192.3
[M-H]-	388.04252	185.3
[M+Na-2H]-	410.02447	187.9
[M]+	389.04925	187.5
[M]-	389.05035	187.5

Adduct

m/z

Predicted CCS (Å²)

[M+H]+

390.05708

184.4

[M+Na]+

412.03902

199.4

[M+NH4]+

407.08362

193.8

[M+K]+

428.01296

192.3

[M-H]-

388.04252

185.3

[M+Na-2H]-

410.02447

187.9

[M]+

389.04925

187.5

[M]-

389.05035

187.5

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

Cipargamin

Structural Information

2D Structure

Profile

Predicted Collision Cross Section

Literature stripe

Patent stripe