CID 374183

Nsc651659

Structural Information

Molecular Formula
C18H15ClN4O5
SMILES
CC(=O)NC1=CC=C(C=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC=C(C=C3)[N+](=O)[O-]
InChI
InChI=1S/C18H15ClN4O5/c1-10(24)20-13-6-2-12(3-7-13)17(25)21-22-16(15(19)18(22)26)11-4-8-14(9-5-11)23(27)28/h2-9,15-16H,1H3,(H,20,24)(H,21,25)
InChIKey
KLKYLTUVEVYSPX-UHFFFAOYSA-N
Compound name
4-acetamido-N-[3-chloro-2-(4-nitrophenyl)-4-oxoazetidin-1-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

402.0731 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.08038 189.4
[M+Na]+ 425.06232 192.2
[M-H]- 401.06582 196.6
[M+NH4]+ 420.10692 191.1
[M+K]+ 441.03626 187.9
[M+H-H2O]+ 385.07036 177.7
[M+HCOO]- 447.07130 206.0
[M+CH3COO]- 461.08695 221.9
[M+Na-2H]- 423.04777 190.8
[M]+ 402.07255 197.4
[M]- 402.07365 197.4
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.