CID 4103042

N-(4-ethoxycarbonylphenyl)phthalamic acid

Structural Information

Molecular Formula
C17H15NO5
SMILES
CCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC=CC=C2C(=O)O
InChI
InChI=1S/C17H15NO5/c1-2-23-17(22)11-7-9-12(10-8-11)18-15(19)13-5-3-4-6-14(13)16(20)21/h3-10H,2H2,1H3,(H,18,19)(H,20,21)
InChIKey
ZVODFTAXUYDEDQ-UHFFFAOYSA-N
Compound name
2-[(4-ethoxycarbonylphenyl)carbamoyl]benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

5
Patents

313.09503 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.102306 170.3
[M+Na]+ 336.084248 175.6
[M-H]- 312.087754 175.6
[M+NH4]+ 331.128853 183.1
[M+K]+ 352.058188 173.2
[M+H-H2O]+ 296.092290 162.1
[M+HCOO]- 358.093231 191.7
[M+CH3COO]- 372.108881 205.4
[M+Na-2H]- 334.069696 171.8
[M]+ 313.09448142 171.6
[M]- 313.09557858 171.6
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