CID 169502165

Diphenylmethoxyacetic acid-glutamine

Structural Information

Molecular Formula
C20H22N2O5
SMILES
C1=CC=C(C=C1)C(C2=CC=CC=C2)OCC(=O)NC(=O)CCC(C(=O)O)N
InChI
InChI=1S/C20H22N2O5/c21-16(20(25)26)11-12-17(23)22-18(24)13-27-19(14-7-3-1-4-8-14)15-9-5-2-6-10-15/h1-10,16,19H,11-13,21H2,(H,25,26)(H,22,23,24)
InChIKey
UJJFVNMPRUCSEJ-UHFFFAOYSA-N
Compound name
2-amino-5-[(2-benzhydryloxyacetyl)amino]-5-oxopentanoic acid
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

370.15286 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.160136 188.2
[M+Na]+ 393.142078 188.7
[M-H]- 369.145584 191.6
[M+NH4]+ 388.186683 197.2
[M+K]+ 409.116018 186.7
[M+H-H2O]+ 353.150120 178.9
[M+HCOO]- 415.151061 206.9
[M+CH3COO]- 429.166711 218.4
[M+Na-2H]- 391.127526 186.6
[M]+ 370.15231142 186.7
[M]- 370.15340858 186.7
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.