CID 374773

Nsc653018

Structural Information

Molecular Formula
C17H12Cl2N2O
SMILES
C1=CC=C2C(=C1)C(=CN2)C3C(=O)C(N3C4=CC=CC=C4Cl)Cl
InChI
InChI=1S/C17H12Cl2N2O/c18-12-6-2-4-8-14(12)21-15(16(22)17(21)19)11-9-20-13-7-3-1-5-10(11)13/h1-9,15,17,20H
InChIKey
WNMNYNDVFMOFER-UHFFFAOYSA-N
Compound name
2-chloro-1-(2-chlorophenyl)-4-(1H-indol-3-yl)azetidin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.03265 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.03993 164.6
[M+Na]+ 353.02187 176.5
[M-H]- 329.02537 170.8
[M+NH4]+ 348.06647 173.7
[M+K]+ 368.99581 170.4
[M+H-H2O]+ 313.02991 152.0
[M+HCOO]- 375.03085 174.9
[M+CH3COO]- 389.04650 175.9
[M+Na-2H]- 351.00732 166.8
[M]+ 330.03210 176.4
[M]- 330.03320 176.4
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.