CID 256077

N-(3,5-dimethoxyphenyl)-3-oxobutanamide

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC(=O)CC(=O)NC1=CC(=CC(=C1)OC)OC
InChI
InChI=1S/C12H15NO4/c1-8(14)4-12(15)13-9-5-10(16-2)7-11(6-9)17-3/h5-7H,4H2,1-3H3,(H,13,15)
InChIKey
XAALNGBIVYRYEA-UHFFFAOYSA-N
Compound name
N-(3,5-dimethoxyphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

237.10011 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.107386 151.2
[M+Na]+ 260.089328 158.2
[M-H]- 236.092834 155.1
[M+NH4]+ 255.133933 168.8
[M+K]+ 276.063268 157.6
[M+H-H2O]+ 220.097370 144.7
[M+HCOO]- 282.098311 175.1
[M+CH3COO]- 296.113961 195.1
[M+Na-2H]- 258.074776 154.4
[M]+ 237.09956142 155.3
[M]- 237.10065858 155.3
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

patents stripe