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]+ 304.14446 173.4
[M+Na]+ 326.12640 187.5
[M+NH4]+ 321.17100 180.6
[M+K]+ 342.10034 180.9
[M-H]- 302.12990 178.7
[M+Na-2H]- 324.11185 183.3
[M]+ 303.13663 176.8
[M]- 303.13773 176.8
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.