CID 7019136

143060-31-5

Structural Information

Molecular Formula
C20H23NO4
SMILES
CC(C)(C)OC(=O)N[C@H](C(C1=CC=CC=C1)C2=CC=CC=C2)C(=O)O
InChI
InChI=1S/C20H23NO4/c1-20(2,3)25-19(24)21-17(18(22)23)16(14-10-6-4-7-11-14)15-12-8-5-9-13-15/h4-13,16-17H,1-3H3,(H,21,24)(H,22,23)/t17-/m1/s1
InChIKey
TYJDOLCFYZSNQC-QGZVFWFLSA-N
Compound name
(2R)-2-[(2-methylpropan-2-yl)oxycarbonylamino]-3,3-diphenylpropanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

55
Patents

341.16272 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.169996 181.7
[M+Na]+ 364.151938 184.0
[M-H]- 340.155444 186.1
[M+NH4]+ 359.196543 193.1
[M+K]+ 380.125878 181.9
[M+H-H2O]+ 324.159980 173.7
[M+HCOO]- 386.160921 199.2
[M+CH3COO]- 400.176571 210.9
[M+Na-2H]- 362.137386 182.8
[M]+ 341.16217142 181.4
[M]- 341.16326858 181.4
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

patents stripe