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 172.0
[M+Na]+ 326.12640 178.8
[M-H]- 302.12990 179.1
[M+NH4]+ 321.17100 185.1
[M+K]+ 342.10034 172.6
[M+H-H2O]+ 286.13444 161.6
[M+HCOO]- 348.13538 194.7
[M+CH3COO]- 362.15103 182.7
[M+Na-2H]- 324.11185 175.0
[M]+ 303.13663 171.3
[M]- 303.13773 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.