CID 6447964

2-propen-1-one, 1-(5-acetyl-2,4-dihydroxyphenyl)-3-(4-(dimethylamino)phenyl)-

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]+ 326.138676 175.3
[M+Na]+ 348.120618 181.8
[M-H]- 324.124124 181.1
[M+NH4]+ 343.165223 188.4
[M+K]+ 364.094558 178.4
[M+H-H2O]+ 308.128660 167.6
[M+HCOO]- 370.129601 195.9
[M+CH3COO]- 384.145251 212.4
[M+Na-2H]- 346.106066 174.4
[M]+ 325.13085142 176.9
[M]- 325.13194858 176.9
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.