CID 6994632

Z-phe-gly-oh

Structural Information

Molecular Formula
C19H20N2O5
SMILES
C1=CC=C(C=C1)C[C@@H](C(=O)NCC(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C19H20N2O5/c22-17(23)12-20-18(24)16(11-14-7-3-1-4-8-14)21-19(25)26-13-15-9-5-2-6-10-15/h1-10,16H,11-13H2,(H,20,24)(H,21,25)(H,22,23)/t16-/m0/s1
InChIKey
OEIUAJRTESSOCC-INIZCTEOSA-N
Compound name
2-[[(2S)-3-phenyl-2-(phenylmethoxycarbonylamino)propanoyl]amino]acetic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

39
Patents

356.1372 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 357.144476 183.2
[M+Na]+ 379.126418 184.6
[M-H]- 355.129924 187.4
[M+NH4]+ 374.171023 193.2
[M+K]+ 395.100358 182.4
[M+H-H2O]+ 339.134460 173.9
[M+HCOO]- 401.135401 204.0
[M+CH3COO]- 415.151051 214.3
[M+Na-2H]- 377.111866 184.4
[M]+ 356.13665142 182.9
[M]- 356.13774858 182.9
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

patents stripe