CID 15956368

Chembl377145

Structural Information

Molecular Formula
C15H12ClNOS
SMILES
CC1=C(SC=C1)[C@H]2C[C@@]23C4=C(C=CC(=C4)Cl)NC3=O
InChI
InChI=1S/C15H12ClNOS/c1-8-4-5-19-13(8)11-7-15(11)10-6-9(16)2-3-12(10)17-14(15)18/h2-6,11H,7H2,1H3,(H,17,18)/t11-,15-/m1/s1
InChIKey
XQHGQOSHRWDOCE-IAQYHMDHSA-N
Compound name
(2'S,3S)-5-chloro-2'-(3-methylthiophen-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

289.0328 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.04008 159.1
[M+Na]+ 312.02202 172.9
[M-H]- 288.02552 167.8
[M+NH4]+ 307.06662 176.8
[M+K]+ 327.99596 165.7
[M+H-H2O]+ 272.03006 155.3
[M+HCOO]- 334.03100 171.2
[M+CH3COO]- 348.04665 172.0
[M+Na-2H]- 310.00747 159.3
[M]+ 289.03225 165.2
[M]- 289.03335 165.2
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.