CID 2761796

147923-08-8

Structural Information

Molecular Formula
C20H23NO4
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=C(C=C1)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C20H23NO4/c1-20(2,3)25-19(24)21-17(18(22)23)13-14-9-11-16(12-10-14)15-7-5-4-6-8-15/h4-12,17H,13H2,1-3H3,(H,21,24)(H,22,23)/t17-/m0/s1
InChIKey
NBVVKAUSAGHTSU-KRWDZBQOSA-N
Compound name
(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3-(4-phenylphenyl)propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

362
Patents

341.16272 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.17000 181.9
[M+Na]+ 364.15194 192.0
[M+NH4]+ 359.19654 187.3
[M+K]+ 380.12588 187.5
[M-H]- 340.15544 183.8
[M+Na-2H]- 362.13739 187.9
[M]+ 341.16217 183.7
[M]- 341.16327 183.7
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

patents stripe