CID 2080954

2-chloro-n-[2-(mesitylamino)-2-oxoethyl]acetamide

Structural Information

Molecular Formula
C13H17ClN2O2
SMILES
CC1=CC(=C(C(=C1)C)NC(=O)CNC(=O)CCl)C
InChI
InChI=1S/C13H17ClN2O2/c1-8-4-9(2)13(10(3)5-8)16-12(18)7-15-11(17)6-14/h4-5H,6-7H2,1-3H3,(H,15,17)(H,16,18)
InChIKey
FNQXJKYWTSIBJX-UHFFFAOYSA-N
Compound name
2-[(2-chloroacetyl)amino]-N-(2,4,6-trimethylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

268.09787 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 269.10515 161.4
[M+Na]+ 291.08709 169.1
[M-H]- 267.09059 165.4
[M+NH4]+ 286.13169 178.8
[M+K]+ 307.06103 165.1
[M+H-H2O]+ 251.09513 155.9
[M+HCOO]- 313.09607 181.1
[M+CH3COO]- 327.11172 203.3
[M+Na-2H]- 289.07254 162.9
[M]+ 268.09732 164.6
[M]- 268.09842 164.6
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.