CID 5377268

4-(dimethylamino)chalcone

Structural Information

Molecular Formula
C17H17NO
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=C2
InChI
InChI=1S/C17H17NO/c1-18(2)16-11-8-14(9-12-16)10-13-17(19)15-6-4-3-5-7-15/h3-13H,1-2H3/b13-10+
InChIKey
PDKPRWFMRVBCOB-JLHYYAGUSA-N
Compound name
(E)-3-[4-(dimethylamino)phenyl]-1-phenylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

16
References

254
Patents

251.13101 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.13829 158.9
[M+Na]+ 274.12023 164.8
[M-H]- 250.12373 166.6
[M+NH4]+ 269.16483 176.0
[M+K]+ 290.09417 161.3
[M+H-H2O]+ 234.12827 150.8
[M+HCOO]- 296.12921 183.4
[M+CH3COO]- 310.14486 201.0
[M+Na-2H]- 272.10568 163.0
[M]+ 251.13046 159.3
[M]- 251.13156 159.3
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