CID 14039233

18635-06-8

Structural Information

Molecular Formula
C20H22N2O5
SMILES
CC(C)(C1=CC=C(C=C1)C2=CC=CC=C2)OC(=O)N[C@@H](CC(=O)N)C(=O)O
InChI
InChI=1S/C20H22N2O5/c1-20(2,27-19(26)22-16(18(24)25)12-17(21)23)15-10-8-14(9-11-15)13-6-4-3-5-7-13/h3-11,16H,12H2,1-2H3,(H2,21,23)(H,22,26)(H,24,25)/t16-/m0/s1
InChIKey
JCYLLFHJPWLHKD-INIZCTEOSA-N
Compound name
(2S)-4-amino-4-oxo-2-[2-(4-phenylphenyl)propan-2-yloxycarbonylamino]butanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

370.15286 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.160136 186.7
[M+Na]+ 393.142078 188.9
[M-H]- 369.145584 190.9
[M+NH4]+ 388.186683 196.3
[M+K]+ 409.116018 187.1
[M+H-H2O]+ 353.150120 178.3
[M+HCOO]- 415.151061 205.0
[M+CH3COO]- 429.166711 219.2
[M+Na-2H]- 391.127526 186.8
[M]+ 370.15231142 185.9
[M]- 370.15340858 185.9
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.