CID 193864

52033-70-2

Structural Information

Molecular Formula
C15H12N2O5
SMILES
C1=CC=C(C=C1)CC(=O)NC2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O
InChI
InChI=1S/C15H12N2O5/c18-14(8-10-4-2-1-3-5-10)16-11-6-7-13(17(21)22)12(9-11)15(19)20/h1-7,9H,8H2,(H,16,18)(H,19,20)
InChIKey
QHVQEQRGDKOHHC-UHFFFAOYSA-N
Compound name
2-nitro-5-[(2-phenylacetyl)amino]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

13
References

158
Patents

300.07462 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.08190 164.3
[M+Na]+ 323.06384 168.8
[M-H]- 299.06734 169.6
[M+NH4]+ 318.10844 176.7
[M+K]+ 339.03778 161.8
[M+H-H2O]+ 283.07188 160.7
[M+HCOO]- 345.07282 187.7
[M+CH3COO]- 359.08847 196.3
[M+Na-2H]- 321.04929 169.3
[M]+ 300.07407 162.0
[M]- 300.07517 162.0
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.