CID 43358

2-phenyl-n-(o-tolyl)glycine

Structural Information

Molecular Formula
C15H15NO2
SMILES
CC1=CC=CC=C1NC(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C15H15NO2/c1-11-7-5-6-10-13(11)16-14(15(17)18)12-8-3-2-4-9-12/h2-10,14,16H,1H3,(H,17,18)
InChIKey
HWJGUBMEOAQIMJ-UHFFFAOYSA-N
Compound name
2-(2-methylanilino)-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

26
Patents

241.11028 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.11756 154.5
[M+Na]+ 264.09950 159.9
[M-H]- 240.10300 159.7
[M+NH4]+ 259.14410 170.5
[M+K]+ 280.07344 156.4
[M+H-H2O]+ 224.10754 147.0
[M+HCOO]- 286.10848 176.7
[M+CH3COO]- 300.12413 193.5
[M+Na-2H]- 262.08495 158.8
[M]+ 241.10973 152.6
[M]- 241.11083 152.6
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