CID 85564

2',4'-dimethoxyacetoacetanilide

Structural Information

Molecular Formula
C12H15NO4
SMILES
CC(=O)CC(=O)NC1=C(C=C(C=C1)OC)OC
InChI
InChI=1S/C12H15NO4/c1-8(14)6-12(15)13-10-5-4-9(16-2)7-11(10)17-3/h4-5,7H,6H2,1-3H3,(H,13,15)
InChIKey
IQWUCASGTZCNKK-UHFFFAOYSA-N
Compound name
N-(2,4-dimethoxyphenyl)-3-oxobutanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

6
References

63
Patents

237.10011 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 238.10739 152.4
[M+Na]+ 260.08933 162.7
[M+NH4]+ 255.13393 158.5
[M+K]+ 276.06327 158.3
[M-H]- 236.09283 153.0
[M+Na-2H]- 258.07478 156.8
[M]+ 237.09956 153.7
[M]- 237.10066 153.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe