CID 11971468

5,6-bis(4-methoxyphenyl)-2-(3-phenyl-2-propenyl)-1,2,4-triazin-3(2h)-one

Structural Information

Molecular Formula
C26H23N3O3
SMILES
COC1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)OC)C/C=C/C4=CC=CC=C4
InChI
InChI=1S/C26H23N3O3/c1-31-22-14-10-20(11-15-22)24-25(21-12-16-23(32-2)17-13-21)28-29(26(30)27-24)18-6-9-19-7-4-3-5-8-19/h3-17H,18H2,1-2H3/b9-6+
InChIKey
JCBHTRLDBWGWSE-RMKNXTFCSA-N
Compound name
5,6-bis(4-methoxyphenyl)-2-[(E)-3-phenylprop-2-enyl]-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.17395 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.18123 207.7
[M+Na]+ 448.16317 215.9
[M-H]- 424.16667 216.2
[M+NH4]+ 443.20777 212.4
[M+K]+ 464.13711 207.9
[M+H-H2O]+ 408.17121 193.3
[M+HCOO]- 470.17215 226.4
[M+CH3COO]- 484.18780 215.8
[M+Na-2H]- 446.14862 210.1
[M]+ 425.17340 210.7
[M]- 425.17450 210.7
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.