CID 29553590

4-[ethyl(phenyl)amino]benzoic acid

Structural Information

Molecular Formula
C15H15NO2
SMILES
CCN(C1=CC=CC=C1)C2=CC=C(C=C2)C(=O)O
InChI
InChI=1S/C15H15NO2/c1-2-16(13-6-4-3-5-7-13)14-10-8-12(9-11-14)15(17)18/h3-11H,2H2,1H3,(H,17,18)
InChIKey
WHOYKJXJCOWAKE-UHFFFAOYSA-N
Compound name
4-(N-ethylanilino)benzoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.11028 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 154.3
[M+Na]+ 264.09950 160.1
[M-H]- 240.10300 160.9
[M+NH4]+ 259.14410 171.0
[M+K]+ 280.07344 157.4
[M+H-H2O]+ 224.10754 146.5
[M+HCOO]- 286.10848 178.0
[M+CH3COO]- 300.12413 196.0
[M+Na-2H]- 262.08495 159.0
[M]+ 241.10973 154.2
[M]- 241.11083 154.2
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