CID 15956385

Chembl382216

Structural Information

Molecular Formula
C16H13ClN2O
SMILES
CC1=NC(=CC=C1)[C@H]2C[C@@]23C4=C(C=CC(=C4)Cl)NC3=O
InChI
InChI=1S/C16H13ClN2O/c1-9-3-2-4-13(18-9)12-8-16(12)11-7-10(17)5-6-14(11)19-15(16)20/h2-7,12H,8H2,1H3,(H,19,20)/t12-,16-/m1/s1
InChIKey
NGWBNZNRNZYMOD-MLGOLLRUSA-N
Compound name
(2'S,3S)-5-chloro-2'-(6-methylpyridin-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

284.07166 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.07894 167.0
[M+Na]+ 307.06088 180.3
[M-H]- 283.06438 173.7
[M+NH4]+ 302.10548 180.9
[M+K]+ 323.03482 172.3
[M+H-H2O]+ 267.06892 159.8
[M+HCOO]- 329.06986 181.4
[M+CH3COO]- 343.08551 178.6
[M+Na-2H]- 305.04633 170.5
[M]+ 284.07111 170.2
[M]- 284.07221 170.2
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.