CID 2787250

Methyl 3-methyl-2-(3-phenylureido)butanoate

Structural Information

Molecular Formula
C13H18N2O3
SMILES
CC(C)C(C(=O)OC)NC(=O)NC1=CC=CC=C1
InChI
InChI=1S/C13H18N2O3/c1-9(2)11(12(16)18-3)15-13(17)14-10-7-5-4-6-8-10/h4-9,11H,1-3H3,(H2,14,15,17)
InChIKey
VWBHGKPYFIEYDT-UHFFFAOYSA-N
Compound name
methyl 3-methyl-2-(phenylcarbamoylamino)butanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

250.13174 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.139016 159.5
[M+Na]+ 273.120958 163.0
[M-H]- 249.124464 162.6
[M+NH4]+ 268.165563 175.6
[M+K]+ 289.094898 162.6
[M+H-H2O]+ 233.129000 152.2
[M+HCOO]- 295.129941 181.9
[M+CH3COO]- 309.145591 199.2
[M+Na-2H]- 271.106406 161.1
[M]+ 250.13119142 159.4
[M]- 250.13228858 159.4
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

No patent data available for this compound.