CID 15956360

Chembl383302

Structural Information

Molecular Formula
C16H14ClNO2
SMILES
CC1=C(OC(=C1)[C@H]2C[C@@]23C4=C(C=CC(=C4)Cl)NC3=O)C
InChI
InChI=1S/C16H14ClNO2/c1-8-5-14(20-9(8)2)12-7-16(12)11-6-10(17)3-4-13(11)18-15(16)19/h3-6,12H,7H2,1-2H3,(H,18,19)/t12-,16-/m1/s1
InChIKey
NXVJRDYCXXVRDF-MLGOLLRUSA-N
Compound name
(2'S,3S)-5-chloro-2'-(4,5-dimethylfuran-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

287.07132 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 288.07860 162.8
[M+Na]+ 310.06054 176.8
[M-H]- 286.06404 172.1
[M+NH4]+ 305.10514 178.8
[M+K]+ 326.03448 170.5
[M+H-H2O]+ 270.06858 158.3
[M+HCOO]- 332.06952 178.0
[M+CH3COO]- 346.08517 175.8
[M+Na-2H]- 308.04599 164.5
[M]+ 287.07077 169.0
[M]- 287.07187 169.0
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.