CID 2426768

2-chloro-n-methyl-n-{[(4-methylphenyl)carbamoyl]methyl}acetamide

Structural Information

Molecular Formula
C12H15ClN2O2
SMILES
CC1=CC=C(C=C1)NC(=O)CN(C)C(=O)CCl
InChI
InChI=1S/C12H15ClN2O2/c1-9-3-5-10(6-4-9)14-11(16)8-15(2)12(17)7-13/h3-6H,7-8H2,1-2H3,(H,14,16)
InChIKey
VTCGNTYQBBRWBX-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)-methylamino]-N-(4-methylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0822 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.08948 157.2
[M+Na]+ 277.07142 163.6
[M-H]- 253.07492 162.1
[M+NH4]+ 272.11602 175.2
[M+K]+ 293.04536 161.1
[M+H-H2O]+ 237.07946 151.1
[M+HCOO]- 299.08040 177.7
[M+CH3COO]- 313.09605 201.2
[M+Na-2H]- 275.05687 159.9
[M]+ 254.08165 160.5
[M]- 254.08275 160.5
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.