CID 2775200

79324-44-0

Structural Information

Molecular Formula
C12H13NO4
SMILES
CC(=O)C1=CC(=C(C=C1NC(=O)C)O)C(=O)C
InChI
InChI=1S/C12H13NO4/c1-6(14)9-4-10(7(2)15)12(17)5-11(9)13-8(3)16/h4-5,17H,1-3H3,(H,13,16)
InChIKey
QBXRGAQLGPKTLW-UHFFFAOYSA-N
Compound name
N-(2,4-diacetyl-5-hydroxyphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

105
Patents

235.08446 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 236.091736 149.4
[M+Na]+ 258.073678 157.0
[M-H]- 234.077184 152.4
[M+NH4]+ 253.118283 166.5
[M+K]+ 274.047618 155.5
[M+H-H2O]+ 218.081720 143.6
[M+HCOO]- 280.082661 171.0
[M+CH3COO]- 294.098311 194.1
[M+Na-2H]- 256.059126 150.2
[M]+ 235.08391142 150.7
[M]- 235.08500858 150.7
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