CID 3758396

Potassium 2-({[2-(4-methoxyphenyl)ethyl]carbamoyl}amino)propanoate

Structural Information

Molecular Formula
C13H18N2O4
SMILES
CC(C(=O)O)NC(=O)NCCC1=CC=C(C=C1)OC
InChI
InChI=1S/C13H18N2O4/c1-9(12(16)17)15-13(18)14-8-7-10-3-5-11(19-2)6-4-10/h3-6,9H,7-8H2,1-2H3,(H,16,17)(H2,14,15,18)
InChIKey
XVOZWDQOLWDUML-UHFFFAOYSA-N
Compound name
2-[2-(4-methoxyphenyl)ethylcarbamoylamino]propanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

266.12665 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.133926 161.4
[M+Na]+ 289.115868 165.4
[M-H]- 265.119374 163.2
[M+NH4]+ 284.160473 176.2
[M+K]+ 305.089808 164.2
[M+H-H2O]+ 249.123910 154.1
[M+HCOO]- 311.124851 183.4
[M+CH3COO]- 325.140501 200.0
[M+Na-2H]- 287.101316 163.1
[M]+ 266.12610142 161.9
[M]- 266.12719858 161.9
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.