CID 2125306

2-chloro-n-{[(2,6-dimethylphenyl)carbamoyl]methyl}-n-(2-methoxyethyl)acetamide

Structural Information

Molecular Formula
C15H21ClN2O3
SMILES
CC1=C(C(=CC=C1)C)NC(=O)CN(CCOC)C(=O)CCl
InChI
InChI=1S/C15H21ClN2O3/c1-11-5-4-6-12(2)15(11)17-13(19)10-18(7-8-21-3)14(20)9-16/h4-6H,7-10H2,1-3H3,(H,17,19)
InChIKey
SWYWLPRHJXXEGX-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)-(2-methoxyethyl)amino]-N-(2,6-dimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

312.12408 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 313.13136 173.3
[M+Na]+ 335.11330 179.2
[M-H]- 311.11680 178.0
[M+NH4]+ 330.15790 189.1
[M+K]+ 351.08724 176.7
[M+H-H2O]+ 295.12134 166.7
[M+HCOO]- 357.12228 193.0
[M+CH3COO]- 371.13793 213.5
[M+Na-2H]- 333.09875 173.8
[M]+ 312.12353 179.6
[M]- 312.12463 179.6
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.