CID 11971469

1,2,4-triazin-3(2h)-one, 5,6-bis(4-methoxyphenyl)-2-(2-oxo-2-phenylethyl)-

Structural Information

Molecular Formula
C25H21N3O4
SMILES
COC1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)OC)CC(=O)C4=CC=CC=C4
InChI
InChI=1S/C25H21N3O4/c1-31-20-12-8-18(9-13-20)23-24(19-10-14-21(32-2)15-11-19)27-28(25(30)26-23)16-22(29)17-6-4-3-5-7-17/h3-15H,16H2,1-2H3
InChIKey
HMIJOSKTWXGVSJ-UHFFFAOYSA-N
Compound name
5,6-bis(4-methoxyphenyl)-2-phenacyl-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

427.1532 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.16048 204.9
[M+Na]+ 450.14242 212.9
[M-H]- 426.14592 213.8
[M+NH4]+ 445.18702 209.3
[M+K]+ 466.11636 206.5
[M+H-H2O]+ 410.15046 190.8
[M+HCOO]- 472.15140 223.2
[M+CH3COO]- 486.16705 213.3
[M+Na-2H]- 448.12787 207.1
[M]+ 427.15265 208.5
[M]- 427.15375 208.5
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.