CID 7021558

218608-83-4

Structural Information

Molecular Formula
C16H23NO4
SMILES
CC(C)(C)OC(=O)N[C@H](CCC1=CC=CC=C1)CC(=O)O
InChI
InChI=1S/C16H23NO4/c1-16(2,3)21-15(20)17-13(11-14(18)19)10-9-12-7-5-4-6-8-12/h4-8,13H,9-11H2,1-3H3,(H,17,20)(H,18,19)/t13-/m1/s1
InChIKey
MYWZFJXOLAXENE-CYBMUJFWSA-N
Compound name
(3R)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-5-phenylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

65
Patents

293.16272 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.17000 171.1
[M+Na]+ 316.15194 174.3
[M-H]- 292.15544 172.5
[M+NH4]+ 311.19654 185.2
[M+K]+ 332.12588 172.9
[M+H-H2O]+ 276.15998 164.4
[M+HCOO]- 338.16092 189.6
[M+CH3COO]- 352.17657 202.1
[M+Na-2H]- 314.13739 172.6
[M]+ 293.16217 172.6
[M]- 293.16327 172.6
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