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

133
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 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

literature stripe

Patent stripe

patents stripe