CID 3761757

Potassium 4-methyl-2-{[(3-phenylpropyl)carbamoyl]amino}pentanoate

Structural Information

Molecular Formula
C16H24N2O3
SMILES
CC(C)CC(C(=O)O)NC(=O)NCCCC1=CC=CC=C1
InChI
InChI=1S/C16H24N2O3/c1-12(2)11-14(15(19)20)18-16(21)17-10-6-9-13-7-4-3-5-8-13/h3-5,7-8,12,14H,6,9-11H2,1-2H3,(H,19,20)(H2,17,18,21)
InChIKey
NJAKAQVHJGATRJ-UHFFFAOYSA-N
Compound name
4-methyl-2-(3-phenylpropylcarbamoylamino)pentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

292.17868 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18596 173.2
[M+Na]+ 315.16790 174.8
[M-H]- 291.17140 174.2
[M+NH4]+ 310.21250 186.7
[M+K]+ 331.14184 172.9
[M+H-H2O]+ 275.17594 165.5
[M+HCOO]- 337.17688 193.0
[M+CH3COO]- 351.19253 206.5
[M+Na-2H]- 313.15335 172.7
[M]+ 292.17813 172.3
[M]- 292.17923 172.3
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.