CID 154699744

Ns00117483

Structural Information

Molecular Formula
C19H17N3O
SMILES
CNC1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(C=C2)N3C=CN=C3
InChI
InChI=1S/C19H17N3O/c1-20-17-7-2-15(3-8-17)4-11-19(23)16-5-9-18(10-6-16)22-13-12-21-14-22/h2-14,20H,1H3/b11-4+
InChIKey
KMDOGQAGZRZRPI-NYYWCZLTSA-N
Compound name
(E)-1-(4-imidazol-1-ylphenyl)-3-[4-(methylamino)phenyl]prop-2-en-1-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.13718 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.144456 172.0
[M+Na]+ 326.126398 178.8
[M-H]- 302.129904 179.1
[M+NH4]+ 321.171003 185.1
[M+K]+ 342.100338 172.6
[M+H-H2O]+ 286.134440 161.6
[M+HCOO]- 348.135381 194.7
[M+CH3COO]- 362.151031 182.7
[M+Na-2H]- 324.111846 175.0
[M]+ 303.13663142 171.3
[M]- 303.13772858 171.3
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

No patent data available for this compound.