CID 47205800

N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]butanamide

Structural Information

Molecular Formula
C13H17ClN2O2
SMILES
CCCC(=O)NCC(=O)NC1=C(C=CC(=C1)Cl)C
InChI
InChI=1S/C13H17ClN2O2/c1-3-4-12(17)15-8-13(18)16-11-7-10(14)6-5-9(11)2/h5-7H,3-4,8H2,1-2H3,(H,15,17)(H,16,18)
InChIKey
YXRXVSPJLLIXRK-UHFFFAOYSA-N
Compound name
N-[2-(5-chloro-2-methylanilino)-2-oxoethyl]butanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

268.09787 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10515 161.2
[M+Na]+ 291.08709 171.8
[M+NH4]+ 286.13169 168.0
[M+K]+ 307.06103 165.5
[M-H]- 267.09059 163.0
[M+Na-2H]- 289.07254 166.0
[M]+ 268.09732 163.2
[M]- 268.09842 163.2
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.