CID 55496

86427-38-5

Structural Information

Molecular Formula
C18H15ClN2O
SMILES
C1=CC=C(C=C1)CN2C(C(C2=O)Cl)C3=CNC4=CC=CC=C43
InChI
InChI=1S/C18H15ClN2O/c19-16-17(14-10-20-15-9-5-4-8-13(14)15)21(18(16)22)11-12-6-2-1-3-7-12/h1-10,16-17,20H,11H2
InChIKey
QYDZUUSCBVXVDI-UHFFFAOYSA-N
Compound name
1-benzyl-3-chloro-4-(1H-indol-3-yl)azetidin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

310.08728 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.09456 164.9
[M+Na]+ 333.07650 175.0
[M-H]- 309.08000 171.7
[M+NH4]+ 328.12110 173.9
[M+K]+ 349.05044 169.7
[M+H-H2O]+ 293.08454 151.5
[M+HCOO]- 355.08548 179.9
[M+CH3COO]- 369.10113 176.1
[M+Na-2H]- 331.06195 167.9
[M]+ 310.08673 175.6
[M]- 310.08783 175.6
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.