CID 45157

2-phenyl-2-(o-xylylamino)acetic acid

Structural Information

Molecular Formula
C16H17NO2
SMILES
CC1=CC=CC=C1CNC(C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C16H17NO2/c1-12-7-5-6-10-14(12)11-17-15(16(18)19)13-8-3-2-4-9-13/h2-10,15,17H,11H2,1H3,(H,18,19)
InChIKey
TZWJIEYUCJKWND-UHFFFAOYSA-N
Compound name
2-[(2-methylphenyl)methylamino]-2-phenylacetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

255.12593 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 256.13321 160.3
[M+Na]+ 278.11515 172.8
[M+NH4]+ 273.15975 168.1
[M+K]+ 294.08909 166.0
[M-H]- 254.11865 164.5
[M+Na-2H]- 276.10060 168.6
[M]+ 255.12538 163.1
[M]- 255.12648 163.1
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

No patent data available for this compound.