CID 3814972

4-methyl-2-({[(4-methylphenyl)methyl]carbamoyl}amino)pentanoic acid

Structural Information

Molecular Formula
C15H22N2O3
SMILES
CC1=CC=C(C=C1)CNC(=O)NC(CC(C)C)C(=O)O
InChI
InChI=1S/C15H22N2O3/c1-10(2)8-13(14(18)19)17-15(20)16-9-12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,18,19)(H2,16,17,20)
InChIKey
YLOIVAYOFFVRTA-UHFFFAOYSA-N
Compound name
4-methyl-2-[(4-methylphenyl)methylcarbamoylamino]pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.16306 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.17034 167.9
[M+Na]+ 301.15228 175.1
[M+NH4]+ 296.19688 172.9
[M+K]+ 317.12622 171.6
[M-H]- 277.15578 168.1
[M+Na-2H]- 299.13773 170.5
[M]+ 278.16251 168.4
[M]- 278.16361 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

No patent data available for this compound.