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 162.7
[M+Na]+ 333.07650 175.3
[M+NH4]+ 328.12110 167.9
[M+K]+ 349.05044 169.9
[M-H]- 309.08000 165.2
[M+Na-2H]- 331.06195 169.7
[M]+ 310.08673 164.5
[M]- 310.08783 164.5
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.