CID 3068542

N,2-diphenyl-n-(phenylacetyl)glycine

Structural Information

Molecular Formula
C22H19NO3
SMILES
C1=CC=C(C=C1)CC(=O)N(C2=CC=CC=C2)C(C3=CC=CC=C3)C(=O)O
InChI
InChI=1S/C22H19NO3/c24-20(16-17-10-4-1-5-11-17)23(19-14-8-3-9-15-19)21(22(25)26)18-12-6-2-7-13-18/h1-15,21H,16H2,(H,25,26)
InChIKey
PMIDFFWDKPBWLC-UHFFFAOYSA-N
Compound name
2-phenyl-2-(N-(2-phenylacetyl)anilino)acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1365 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.143776 182.4
[M+Na]+ 368.125718 184.8
[M-H]- 344.129224 190.9
[M+NH4]+ 363.170323 193.4
[M+K]+ 384.099658 181.3
[M+H-H2O]+ 328.133760 172.4
[M+HCOO]- 390.134701 203.2
[M+CH3COO]- 404.150351 214.2
[M+Na-2H]- 366.111166 184.3
[M]+ 345.13595142 181.0
[M]- 345.13704858 181.0
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.