CID 374178

Nsc651654

Structural Information

Molecular Formula
C16H13Cl2N3O2
SMILES
C1=CC=C(C(=C1)C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl)Cl
InChI
InChI=1S/C16H13Cl2N3O2/c17-12-4-2-1-3-11(12)14-13(18)16(23)21(14)20-15(22)9-5-7-10(19)8-6-9/h1-8,13-14H,19H2,(H,20,22)
InChIKey
UREJEGPGLHQRMX-UHFFFAOYSA-N
Compound name
4-amino-N-[3-chloro-2-(2-chlorophenyl)-4-oxoazetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

349.03848 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 350.04576 174.8
[M+Na]+ 372.02770 183.0
[M-H]- 348.03120 181.7
[M+NH4]+ 367.07230 181.1
[M+K]+ 388.00164 179.3
[M+H-H2O]+ 332.03574 161.4
[M+HCOO]- 394.03668 187.0
[M+CH3COO]- 408.05233 217.2
[M+Na-2H]- 370.01315 175.2
[M]+ 349.03793 184.5
[M]- 349.03903 184.5
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.