CID 256077

3',5'-dimethoxyacetoacetanilide, tech.

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

2
Patents

237.10011 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 151.2
[M+Na]+ 260.08933 158.2
[M-H]- 236.09283 155.1
[M+NH4]+ 255.13393 168.8
[M+K]+ 276.06327 157.6
[M+H-H2O]+ 220.09737 144.7
[M+HCOO]- 282.09831 175.1
[M+CH3COO]- 296.11396 195.1
[M+Na-2H]- 258.07478 154.4
[M]+ 237.09956 155.3
[M]- 237.10066 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