CID 15956359

Chembl204983

Structural Information

Molecular Formula
C15H12ClNO2
SMILES
CC1=CC=C(O1)[C@H]2C[C@@]23C4=C(C=CC(=C4)Cl)NC3=O
InChI
InChI=1S/C15H12ClNO2/c1-8-2-5-13(19-8)11-7-15(11)10-6-9(16)3-4-12(10)17-14(15)18/h2-6,11H,7H2,1H3,(H,17,18)/t11-,15-/m1/s1
InChIKey
LZWIVHHVHCILAT-IAQYHMDHSA-N
Compound name
(2'S,3S)-5-chloro-2'-(5-methylfuran-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

273.05566 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.06294 158.7
[M+Na]+ 296.04488 172.4
[M-H]- 272.04838 167.9
[M+NH4]+ 291.08948 175.0
[M+K]+ 312.01882 166.3
[M+H-H2O]+ 256.05292 154.0
[M+HCOO]- 318.05386 174.4
[M+CH3COO]- 332.06951 171.9
[M+Na-2H]- 294.03033 161.5
[M]+ 273.05511 164.2
[M]- 273.05621 164.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.