CID 15956386

Chembl205889

Structural Information

Molecular Formula
C15H10BrClN2O
SMILES
C1[C@@H]([C@]12C3=C(C=CC(=C3)Cl)NC2=O)C4=NC(=CC=C4)Br
InChI
InChI=1S/C15H10BrClN2O/c16-13-3-1-2-11(18-13)10-7-15(10)9-6-8(17)4-5-12(9)19-14(15)20/h1-6,10H,7H2,(H,19,20)/t10-,15-/m1/s1
InChIKey
ZRIKCHTYPKQHDP-MEBBXXQBSA-N
Compound name
(2'S,3S)-2'-(6-bromopyridin-2-yl)-5-chlorospiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

347.9665 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.97378 172.5
[M+Na]+ 370.95572 188.9
[M-H]- 346.95922 181.7
[M+NH4]+ 366.00032 188.0
[M+K]+ 386.92966 174.1
[M+H-H2O]+ 330.96376 172.4
[M+HCOO]- 392.96470 185.6
[M+CH3COO]- 406.98035 185.7
[M+Na-2H]- 368.94117 177.6
[M]+ 347.96595 193.3
[M]- 347.96705 193.3
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.