CID 55494

Brn 4541496

Structural Information

Molecular Formula
C20H19ClN2O
SMILES
CC1=CC(=C(C=C1)CN2C(C(C2=O)Cl)C3=CNC4=CC=CC=C43)C
InChI
InChI=1S/C20H19ClN2O/c1-12-7-8-14(13(2)9-12)11-23-19(18(21)20(23)24)16-10-22-17-6-4-3-5-15(16)17/h3-10,18-19,22H,11H2,1-2H3
InChIKey
LEKVMFOKVJJYHK-UHFFFAOYSA-N
Compound name
3-chloro-1-[(2,4-dimethylphenyl)methyl]-4-(1H-indol-3-yl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

338.1186 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.12588 173.0
[M+Na]+ 361.10782 185.9
[M+NH4]+ 356.15242 177.8
[M+K]+ 377.08176 180.3
[M-H]- 337.11132 175.6
[M+Na-2H]- 359.09327 178.9
[M]+ 338.11805 174.9
[M]- 338.11915 174.9
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.