CID 15956399

(1s,2s)-5'-chloro-2-[6-(3-oxobut-1-enyl)-2-pyridyl]spiro[cyclopropane-1,3'-indoline]-2'-one

Structural Information

Molecular Formula
C19H15ClN2O2
SMILES
CC(=O)C=CC1=NC(=CC=C1)[C@H]2C[C@@]23C4=C(C=CC(=C4)Cl)NC3=O
InChI
InChI=1S/C19H15ClN2O2/c1-11(23)5-7-13-3-2-4-16(21-13)15-10-19(15)14-9-12(20)6-8-17(14)22-18(19)24/h2-9,15H,10H2,1H3,(H,22,24)/t15-,19-/m1/s1
InChIKey
MCKATTUSXDYQCI-DNVCBOLYSA-N
Compound name
(2'S,3S)-5-chloro-2'-[6-(3-oxobut-1-enyl)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

338.0822 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.08948 181.3
[M+Na]+ 361.07142 193.3
[M-H]- 337.07492 187.6
[M+NH4]+ 356.11602 192.8
[M+K]+ 377.04536 184.5
[M+H-H2O]+ 321.07946 174.1
[M+HCOO]- 383.08040 194.2
[M+CH3COO]- 397.09605 191.4
[M+Na-2H]- 359.05687 182.4
[M]+ 338.08165 185.0
[M]- 338.08275 185.0
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.