CID 4043883

Potassium 2-{[(4-chlorophenyl)carbamoyl]amino}-3-methylpentanoate

Structural Information

Molecular Formula
C13H17ClN2O3
SMILES
CCC(C)C(C(=O)O)NC(=O)NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C13H17ClN2O3/c1-3-8(2)11(12(17)18)16-13(19)15-10-6-4-9(14)5-7-10/h4-8,11H,3H2,1-2H3,(H,17,18)(H2,15,16,19)
InChIKey
ITGILGVFQHJKHM-UHFFFAOYSA-N
Compound name
2-[(4-chlorophenyl)carbamoylamino]-3-methylpentanoic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.09277 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.100046 164.6
[M+Na]+ 307.081988 169.4
[M-H]- 283.085494 166.6
[M+NH4]+ 302.126593 179.8
[M+K]+ 323.055928 166.2
[M+H-H2O]+ 267.090030 159.0
[M+HCOO]- 329.090971 181.1
[M+CH3COO]- 343.106621 202.5
[M+Na-2H]- 305.067436 164.8
[M]+ 284.09222142 165.4
[M]- 284.09331858 165.4
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.