CID 135465465

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

Structural Information

Molecular Formula
C21H15ClN2OS
SMILES
C1[C@@H]([C@]12C3=C(C=CC(=C3)Cl)NC2=O)C4=CC=CC(=N4)C5=CC=CC=C5S
InChI
InChI=1S/C21H15ClN2OS/c22-12-8-9-18-14(10-12)21(20(25)24-18)11-15(21)17-6-3-5-16(23-17)13-4-1-2-7-19(13)26/h1-10,15,26H,11H2,(H,24,25)/t15-,21-/m1/s1
InChIKey
IVMFGLDLZXUIAG-QVKFZJNVSA-N
Compound name
(2'S,3S)-5-chloro-2'-[6-(2-sulfanylphenyl)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

378.05936 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.06664 183.5
[M+Na]+ 401.04858 196.8
[M-H]- 377.05208 193.0
[M+NH4]+ 396.09318 194.3
[M+K]+ 417.02252 188.2
[M+H-H2O]+ 361.05662 176.2
[M+HCOO]- 423.05756 193.5
[M+CH3COO]- 437.07321 193.9
[M+Na-2H]- 399.03403 184.5
[M]+ 378.05881 188.9
[M]- 378.05991 188.9
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.