CID 6156423

(2e)-1-(3,4-dimethoxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one

Structural Information

Molecular Formula
C19H21NO3
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC(=C(C=C2)OC)OC
InChI
InChI=1S/C19H21NO3/c1-20(2)16-9-5-14(6-10-16)7-11-17(21)15-8-12-18(22-3)19(13-15)23-4/h5-13H,1-4H3/b11-7+
InChIKey
HBBZSYPAQDRELN-YRNVUSSQSA-N
Compound name
(E)-1-(3,4-dimethoxyphenyl)-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

5
Patents

311.15213 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.15941 173.8
[M+Na]+ 334.14135 180.4
[M-H]- 310.14485 181.9
[M+NH4]+ 329.18595 188.9
[M+K]+ 350.11529 177.9
[M+H-H2O]+ 294.14939 165.2
[M+HCOO]- 356.15033 198.1
[M+CH3COO]- 370.16598 213.5
[M+Na-2H]- 332.12680 175.5
[M]+ 311.15158 178.6
[M]- 311.15268 178.6
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