CID 6258940

Chembl3401547

Structural Information

Molecular Formula
C16H16N2O
SMILES
CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=CC=N2
InChI
InChI=1S/C16H16N2O/c1-18(2)14-9-6-13(7-10-14)8-11-16(19)15-5-3-4-12-17-15/h3-12H,1-2H3/b11-8+
InChIKey
RQOIXZNDFXKOQY-DHZHZOJOSA-N
Compound name
(E)-3-[4-(dimethylamino)phenyl]-1-pyridin-2-ylprop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

4
Patents

252.12627 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 253.13355 158.7
[M+Na]+ 275.11549 165.0
[M-H]- 251.11899 165.1
[M+NH4]+ 270.16009 174.3
[M+K]+ 291.08943 161.5
[M+H-H2O]+ 235.12353 149.7
[M+HCOO]- 297.12447 182.2
[M+CH3COO]- 311.14012 200.6
[M+Na-2H]- 273.10094 163.5
[M]+ 252.12572 159.2
[M]- 252.12682 159.2
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.