CID 6163636

2',4'-dimethyl-4-(dimethylamino)-chalcone

Structural Information

Molecular Formula
C19H21NO
SMILES
CC1=CC(=C(C=C1)C(=O)/C=C/C2=CC=C(C=C2)N(C)C)C
InChI
InChI=1S/C19H21NO/c1-14-5-11-18(15(2)13-14)19(21)12-8-16-6-9-17(10-7-16)20(3)4/h5-13H,1-4H3/b12-8+
InChIKey
AUSURPUVSAOBGD-XYOKQWHBSA-N
Compound name
(E)-3-[4-(dimethylamino)phenyl]-1-(2,4-dimethylphenyl)prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

279.16232 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.16960 166.9
[M+Na]+ 302.15154 173.9
[M-H]- 278.15504 175.1
[M+NH4]+ 297.19614 183.6
[M+K]+ 318.12548 170.1
[M+H-H2O]+ 262.15958 158.9
[M+HCOO]- 324.16052 190.8
[M+CH3COO]- 338.17617 209.4
[M+Na-2H]- 300.13699 168.6
[M]+ 279.16177 168.9
[M]- 279.16287 168.9
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

patents stripe