CID 15956370

Chembl382120

Structural Information

Molecular Formula
C15H13ClN2O
SMILES
CN1C=CC=C1[C@H]2C[C@@]23C4=C(C=CC(=C4)Cl)NC3=O
InChI
InChI=1S/C15H13ClN2O/c1-18-6-2-3-13(18)11-8-15(11)10-7-9(16)4-5-12(10)17-14(15)19/h2-7,11H,8H2,1H3,(H,17,19)/t11-,15-/m1/s1
InChIKey
FCFCNCYISYJEQS-IAQYHMDHSA-N
Compound name
(2'S,3S)-5-chloro-2'-(1-methylpyrrol-2-yl)spiro[1H-indole-3,1'-cyclopropane]-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

272.07166 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.07894 163.5
[M+Na]+ 295.06088 177.0
[M-H]- 271.06438 170.5
[M+NH4]+ 290.10548 179.6
[M+K]+ 311.03482 169.1
[M+H-H2O]+ 255.06892 157.4
[M+HCOO]- 317.06986 178.7
[M+CH3COO]- 331.08551 175.7
[M+Na-2H]- 293.04633 164.9
[M]+ 272.07111 167.1
[M]- 272.07221 167.1
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.