CID 346835

2-(4-aminophenyl)-2-phenylacetic acid

Structural Information

Molecular Formula
C14H13NO2
SMILES
C1=CC=C(C=C1)C(C2=CC=C(C=C2)N)C(=O)O
InChI
InChI=1S/C14H13NO2/c15-12-8-6-11(7-9-12)13(14(16)17)10-4-2-1-3-5-10/h1-9,13H,15H2,(H,16,17)
InChIKey
QBRNBNXTYYYOBH-UHFFFAOYSA-N
Compound name
2-(4-aminophenyl)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

227.09464 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 228.10192 150.6
[M+Na]+ 250.08386 156.4
[M-H]- 226.08736 155.5
[M+NH4]+ 245.12846 166.9
[M+K]+ 266.05780 152.8
[M+H-H2O]+ 210.09190 143.4
[M+HCOO]- 272.09284 172.5
[M+CH3COO]- 286.10849 189.9
[M+Na-2H]- 248.06931 154.3
[M]+ 227.09409 147.4
[M]- 227.09519 147.4
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