CID 792715

4'-methoxyphthalanilic acid

Structural Information

Molecular Formula
C15H13NO4
SMILES
COC1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C15H13NO4/c1-20-11-8-6-10(7-9-11)16-14(17)12-4-2-3-5-13(12)15(18)19/h2-9H,1H3,(H,16,17)(H,18,19)
InChIKey
XTTYEBLAICLDJE-UHFFFAOYSA-N
Compound name
2-[(4-methoxyphenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

12
Patents

271.08447 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.09175 159.3
[M+Na]+ 294.07369 165.7
[M-H]- 270.07719 165.0
[M+NH4]+ 289.11829 174.2
[M+K]+ 310.04763 163.0
[M+H-H2O]+ 254.08173 151.6
[M+HCOO]- 316.08267 182.1
[M+CH3COO]- 330.09832 197.6
[M+Na-2H]- 292.05914 163.0
[M]+ 271.08392 159.9
[M]- 271.08502 159.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe