CID 56321

Brn 2733986

Structural Information

Molecular Formula
C13H18N2O2
SMILES
CC1=CC=C(C=C1)N(CC(=O)N(C)C)C(=O)C
InChI
InChI=1S/C13H18N2O2/c1-10-5-7-12(8-6-10)15(11(2)16)9-13(17)14(3)4/h5-8H,9H2,1-4H3
InChIKey
MCXAJBNDABFANJ-UHFFFAOYSA-N
Compound name
2-(N-acetyl-4-methylanilino)-N,N-dimethylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.13683 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.144106 154.8
[M+Na]+ 257.126048 160.1
[M-H]- 233.129554 161.1
[M+NH4]+ 252.170653 173.3
[M+K]+ 273.099988 160.9
[M+H-H2O]+ 217.134090 147.5
[M+HCOO]- 279.135031 179.9
[M+CH3COO]- 293.150681 204.1
[M+Na-2H]- 255.111496 156.8
[M]+ 234.13628142 157.6
[M]- 234.13737858 157.6
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.