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]+ 269.105146 161.8
[M+Na]+ 291.087088 168.5
[M-H]- 267.090594 165.3
[M+NH4]+ 286.131693 178.8
[M+K]+ 307.061028 164.4
[M+H-H2O]+ 251.095130 155.9
[M+HCOO]- 313.096071 181.4
[M+CH3COO]- 327.111721 202.1
[M+Na-2H]- 289.072536 164.0
[M]+ 268.09732142 164.5
[M]- 268.09841858 164.5
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.