CID 2928588

N-(2-methyl-4-nitrophenyl)phthalamic acid

Structural Information

Molecular Formula
C15H12N2O5
SMILES
CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H12N2O5/c1-9-8-10(17(21)22)6-7-13(9)16-14(18)11-4-2-3-5-12(11)15(19)20/h2-8H,1H3,(H,16,18)(H,19,20)
InChIKey
KGJGKTVAWXPCRB-UHFFFAOYSA-N
Compound name
2-[(2-methyl-4-nitrophenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

300.07462 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.081896 164.0
[M+Na]+ 323.063838 169.5
[M-H]- 299.067344 169.8
[M+NH4]+ 318.108443 176.8
[M+K]+ 339.037778 162.6
[M+H-H2O]+ 283.071880 160.7
[M+HCOO]- 345.072821 187.5
[M+CH3COO]- 359.088471 197.5
[M+Na-2H]- 321.049286 168.5
[M]+ 300.07407142 162.2
[M]- 300.07516858 162.2
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

patents stripe