CID 4190169

2'-methoxy-5'-methylphthalanilic acid

Structural Information

Molecular Formula
C16H15NO4
SMILES
CC1=CC(=C(C=C1)OC)NC(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C16H15NO4/c1-10-7-8-14(21-2)13(9-10)17-15(18)11-5-3-4-6-12(11)16(19)20/h3-9H,1-2H3,(H,17,18)(H,19,20)
InChIKey
OHXANRVUSMNCDA-UHFFFAOYSA-N
Compound name
2-[(2-methoxy-5-methylphenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

285.1001 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.10738 163.6
[M+Na]+ 308.08932 170.5
[M-H]- 284.09282 169.5
[M+NH4]+ 303.13392 178.3
[M+K]+ 324.06326 167.7
[M+H-H2O]+ 268.09736 156.0
[M+HCOO]- 330.09830 186.1
[M+CH3COO]- 344.11395 201.9
[M+Na-2H]- 306.07477 166.1
[M]+ 285.09955 165.0
[M]- 285.10065 165.0
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

patents stripe