CID 373549

Nsc650002

Structural Information

Molecular Formula
C17H14ClN3O4
SMILES
C1=CC=C(C=C1)CC(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H14ClN3O4/c18-15-16(12-6-8-13(9-7-12)21(24)25)20(17(15)23)19-14(22)10-11-4-2-1-3-5-11/h1-9,15-16H,10H2,(H,19,22)
InChIKey
UFYZIVFMWCSSEN-UHFFFAOYSA-N
Compound name
N-[3-chloro-2-(4-nitrophenyl)-4-oxoazetidin-1-yl]-2-phenylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

359.0673 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 360.07458 176.6
[M+Na]+ 382.05652 180.8
[M-H]- 358.06002 183.8
[M+NH4]+ 377.10112 180.6
[M+K]+ 398.03046 175.5
[M+H-H2O]+ 342.06456 165.8
[M+HCOO]- 404.06550 193.5
[M+CH3COO]- 418.08115 211.5
[M+Na-2H]- 380.04197 179.8
[M]+ 359.06675 184.8
[M]- 359.06785 184.8
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.