CID 15956396

Chembl208109

Structural Information

Molecular Formula
C20H16ClN3O
SMILES
CN1C=CC=C1C2=NC(=CC=C2)[C@H]3C[C@@]34C5=C(C=CC(=C5)Cl)NC4=O
InChI
InChI=1S/C20H16ClN3O/c1-24-9-3-6-18(24)17-5-2-4-15(22-17)14-11-20(14)13-10-12(21)7-8-16(13)23-19(20)25/h2-10,14H,11H2,1H3,(H,23,25)/t14-,20-/m1/s1
InChIKey
AFYGZZHZCLFUPR-JLTOFOAXSA-N
Compound name
(2'S,3S)-5-chloro-2'-[6-(1-methylpyrrol-2-yl)pyridin-2-yl]spiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

349.09818 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.10546 185.5
[M+Na]+ 372.08740 198.9
[M-H]- 348.09090 194.1
[M+NH4]+ 367.13200 197.0
[M+K]+ 388.06134 189.6
[M+H-H2O]+ 332.09544 177.2
[M+HCOO]- 394.09638 199.3
[M+CH3COO]- 408.11203 195.9
[M+Na-2H]- 370.07285 185.0
[M]+ 349.09763 189.2
[M]- 349.09873 189.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.