CID 15956384

Chembl206959

Structural Information

Molecular Formula
C15H11ClN2O2
SMILES
C1[C@@H]([C@]12C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC=[N+]4[O-]
InChI
InChI=1S/C15H11ClN2O2/c16-9-4-5-12-10(7-9)15(14(19)17-12)8-11(15)13-3-1-2-6-18(13)20/h1-7,11H,8H2,(H,17,19)/t11-,15-/m1/s1
InChIKey
XKZRRSPTMHNVJI-IAQYHMDHSA-N
Compound name
(2'S,3S)-5-chloro-2'-(1-oxidopyridin-1-ium-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

286.0509 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.05818 162.0
[M+Na]+ 309.04012 173.8
[M-H]- 285.04362 167.2
[M+NH4]+ 304.08472 174.5
[M+K]+ 325.01406 161.8
[M+H-H2O]+ 269.04816 159.7
[M+HCOO]- 331.04910 175.8
[M+CH3COO]- 345.06475 189.0
[M+Na-2H]- 307.02557 168.2
[M]+ 286.05035 162.2
[M]- 286.05145 162.2
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.