CID 6447964

Brn 5590066

Structural Information

Molecular Formula
C19H19NO4
SMILES
CC(=O)C1=CC(=C(C=C1O)O)C(=O)/C=C/C2=CC=C(C=C2)N(C)C
InChI
InChI=1S/C19H19NO4/c1-12(21)15-10-16(19(24)11-18(15)23)17(22)9-6-13-4-7-14(8-5-13)20(2)3/h4-11,23-24H,1-3H3/b9-6+
InChIKey
KALMLYSSIUEYFC-RMKNXTFCSA-N
Compound name
(E)-1-(5-acetyl-2,4-dihydroxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

325.1314 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 326.13868 176.8
[M+Na]+ 348.12062 188.5
[M+NH4]+ 343.16522 182.2
[M+K]+ 364.09456 183.5
[M-H]- 324.12412 179.3
[M+Na-2H]- 346.10607 182.2
[M]+ 325.13085 178.9
[M]- 325.13195 178.9
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

No patent data available for this compound.