CID 484326

N,n-dimethyl-3,5-diacetylaniline

Structural Information

Molecular Formula
C12H15NO2
SMILES
CC(=O)C1=CC(=CC(=C1)N(C)C)C(=O)C
InChI
InChI=1S/C12H15NO2/c1-8(14)10-5-11(9(2)15)7-12(6-10)13(3)4/h5-7H,1-4H3
InChIKey
MGDSYNXHUQPQSL-UHFFFAOYSA-N
Compound name
1-[3-acetyl-5-(dimethylamino)phenyl]ethanone
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

21
Patents

205.11028 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 206.11756 144.1
[M+Na]+ 228.09950 151.4
[M-H]- 204.10300 149.6
[M+NH4]+ 223.14410 163.7
[M+K]+ 244.07344 151.1
[M+H-H2O]+ 188.10754 137.9
[M+HCOO]- 250.10848 168.1
[M+CH3COO]- 264.12413 195.1
[M+Na-2H]- 226.08495 146.5
[M]+ 205.10973 146.6
[M]- 205.11083 146.6
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.