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]+ 285.10005 164.6
[M+Na]+ 307.08199 169.4
[M-H]- 283.08549 166.6
[M+NH4]+ 302.12659 179.8
[M+K]+ 323.05593 166.2
[M+H-H2O]+ 267.09003 159.0
[M+HCOO]- 329.09097 181.1
[M+CH3COO]- 343.10662 202.5
[M+Na-2H]- 305.06744 164.8
[M]+ 284.09222 165.4
[M]- 284.09332 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.