CID 374787

Nsc653032

Structural Information

Molecular Formula
C16H12ClN3O5
SMILES
C1=CC=C(C(=C1)C(=O)NN2C(C(C2=O)Cl)C3=CC(=CC=C3)[N+](=O)[O-])O
InChI
InChI=1S/C16H12ClN3O5/c17-13-14(9-4-3-5-10(8-9)20(24)25)19(16(13)23)18-15(22)11-6-1-2-7-12(11)21/h1-8,13-14,21H,(H,18,22)
InChIKey
MYLSRKKIVQKDRD-UHFFFAOYSA-N
Compound name
N-[3-chloro-2-(3-nitrophenyl)-4-oxoazetidin-1-yl]-2-hydroxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

361.04654 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 362.05382 174.9
[M+Na]+ 384.03576 179.5
[M-H]- 360.03926 181.4
[M+NH4]+ 379.08036 178.3
[M+K]+ 400.00970 174.5
[M+H-H2O]+ 344.04380 164.6
[M+HCOO]- 406.04474 190.8
[M+CH3COO]- 420.06039 209.6
[M+Na-2H]- 382.02121 177.8
[M]+ 361.04599 182.8
[M]- 361.04709 182.8
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.