CID 64145961

2-{[(tert-butoxy)carbonyl]amino}-2-methyl-4-phenylbutanoic acid

Structural Information

Molecular Formula
C16H23NO4
SMILES
CC(C)(C)OC(=O)NC(C)(CCC1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C16H23NO4/c1-15(2,3)21-14(20)17-16(4,13(18)19)11-10-12-8-6-5-7-9-12/h5-9H,10-11H2,1-4H3,(H,17,20)(H,18,19)
InChIKey
NRJFKHRPRBWHEN-UHFFFAOYSA-N
Compound name
2-methyl-2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

293.16272 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.169996 169.8
[M+Na]+ 316.151938 173.8
[M-H]- 292.155444 171.5
[M+NH4]+ 311.196543 184.1
[M+K]+ 332.125878 172.4
[M+H-H2O]+ 276.159980 163.7
[M+HCOO]- 338.160921 187.8
[M+CH3COO]- 352.176571 201.7
[M+Na-2H]- 314.137386 173.8
[M]+ 293.16217142 171.5
[M]- 293.16326858 171.5
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