CID 80777

N-(2,5-dimethoxyphenyl)-3-oxobutanamide

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

0
References

184
Patents

237.10011 Da
Monoisotopic Mass

1.7
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

literature stripe

Patent stripe

patents stripe