CID 25312240

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

Structural Information

Molecular Formula
C12H15ClN2O2
SMILES
CCC1=CC=CC=C1NC(=O)CNC(=O)CCl
InChI
InChI=1S/C12H15ClN2O2/c1-2-9-5-3-4-6-10(9)15-12(17)8-14-11(16)7-13/h3-6H,2,7-8H2,1H3,(H,14,16)(H,15,17)
InChIKey
VAUHMZRQSKDSOT-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)amino]-N-(2-ethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

254.0822 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.089476 157.3
[M+Na]+ 277.071418 163.6
[M-H]- 253.074924 160.7
[M+NH4]+ 272.116023 174.6
[M+K]+ 293.045358 159.6
[M+H-H2O]+ 237.079460 151.4
[M+HCOO]- 299.080401 177.3
[M+CH3COO]- 313.096051 197.8
[M+Na-2H]- 275.056866 160.8
[M]+ 254.08165142 159.4
[M]- 254.08274858 159.4
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.