CID 44144997

79817-50-8

Structural Information

Molecular Formula
C14H20N2O2
SMILES
CC1=CC(=C(C=C1N(C)C(=O)C)C)N(C)C(=O)C
InChI
InChI=1S/C14H20N2O2/c1-9-7-14(16(6)12(4)18)10(2)8-13(9)15(5)11(3)17/h7-8H,1-6H3
InChIKey
SQKGCZLMVUAIQE-UHFFFAOYSA-N
Compound name
N-[4-[acetyl(methyl)amino]-2,5-dimethylphenyl]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

248.15248 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.15976 157.4
[M+Na]+ 271.14170 164.3
[M-H]- 247.14520 164.4
[M+NH4]+ 266.18630 176.1
[M+K]+ 287.11564 165.0
[M+H-H2O]+ 231.14974 150.6
[M+HCOO]- 293.15068 182.3
[M+CH3COO]- 307.16633 209.5
[M+Na-2H]- 269.12715 157.7
[M]+ 248.15193 161.5
[M]- 248.15303 161.5
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.