CID 85986645

Diphenylmethoxyacetic acid-glycine

Structural Information

Molecular Formula
C17H17NO4
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)OCC(=O)NCC(=O)O
InChI
InChI=1S/C17H17NO4/c19-15(18-11-16(20)21)12-22-17(13-7-3-1-4-8-13)14-9-5-2-6-10-14/h1-10,17H,11-12H2,(H,18,19)(H,20,21)
InChIKey
BENKQEQEDUMIOS-UHFFFAOYSA-N
Compound name
2-[(2-benzhydryloxyacetyl)amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

299.11575 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.12303 169.1
[M+Na]+ 322.10497 172.4
[M-H]- 298.10847 173.6
[M+NH4]+ 317.14957 182.0
[M+K]+ 338.07891 169.6
[M+H-H2O]+ 282.11301 160.6
[M+HCOO]- 344.11395 190.1
[M+CH3COO]- 358.12960 202.0
[M+Na-2H]- 320.09042 171.8
[M]+ 299.11520 168.9
[M]- 299.11630 168.9
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

No patent data available for this compound.