CID 374169

Nsc651644

Structural Information

Molecular Formula
C16H13ClN4O4
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2C(C(=O)N2NC(=O)C3=CC=C(C=C3)N)Cl
InChI
InChI=1S/C16H13ClN4O4/c17-13-14(10-2-1-3-12(8-10)21(24)25)20(16(13)23)19-15(22)9-4-6-11(18)7-5-9/h1-8,13-14H,18H2,(H,19,22)
InChIKey
GQALNQDYFMCIPQ-UHFFFAOYSA-N
Compound name
4-amino-N-[3-chloro-2-(3-nitrophenyl)-4-oxoazetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.06253 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.06981 178.6
[M+Na]+ 383.05175 182.8
[M-H]- 359.05525 185.7
[M+NH4]+ 378.09635 182.0
[M+K]+ 399.02569 177.7
[M+H-H2O]+ 343.05979 167.4
[M+HCOO]- 405.06073 196.0
[M+CH3COO]- 419.07638 214.2
[M+Na-2H]- 381.03720 180.9
[M]+ 360.06198 185.1
[M]- 360.06308 185.1
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.