CID 2080954

757220-30-7

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]+ 269.105146 161.4
[M+Na]+ 291.087088 169.1
[M-H]- 267.090594 165.4
[M+NH4]+ 286.131693 178.8
[M+K]+ 307.061028 165.1
[M+H-H2O]+ 251.095130 155.9
[M+HCOO]- 313.096071 181.1
[M+CH3COO]- 327.111721 203.3
[M+Na-2H]- 289.072536 162.9
[M]+ 268.09732142 164.6
[M]- 268.09841858 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.