CID 68826360

75162-02-6

Structural Information

Molecular Formula
C15H19NO5
SMILES
CC(C)(C)OC(=O)NC(CC(=O)C1=CC=CC=C1)C(=O)O
InChI
InChI=1S/C15H19NO5/c1-15(2,3)21-14(20)16-11(13(18)19)9-12(17)10-7-5-4-6-8-10/h4-8,11H,9H2,1-3H3,(H,16,20)(H,18,19)
InChIKey
UYBVBOASUUTFDS-UHFFFAOYSA-N
Compound name
2-[(2-methylpropan-2-yl)oxycarbonylamino]-4-oxo-4-phenylbutanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

293.1263 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.13358 167.1
[M+Na]+ 316.11552 170.7
[M-H]- 292.11902 168.8
[M+NH4]+ 311.16012 181.0
[M+K]+ 332.08946 170.2
[M+H-H2O]+ 276.12356 160.6
[M+HCOO]- 338.12450 185.4
[M+CH3COO]- 352.14015 201.4
[M+Na-2H]- 314.10097 168.3
[M]+ 293.12575 168.4
[M]- 293.12685 168.4
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