CID 11971466

1,2,4-triazin-3(2h)-one, 5,6-bis(4-methoxyphenyl)-2-(3-(phenylthio)propyl)-

Structural Information

Molecular Formula
C26H25N3O3S
SMILES
COC1=CC=C(C=C1)C2=NC(=O)N(N=C2C3=CC=C(C=C3)OC)CCCSC4=CC=CC=C4
InChI
InChI=1S/C26H25N3O3S/c1-31-21-13-9-19(10-14-21)24-25(20-11-15-22(32-2)16-12-20)28-29(26(30)27-24)17-6-18-33-23-7-4-3-5-8-23/h3-5,7-16H,6,17-18H2,1-2H3
InChIKey
MFFPYACKCHSZQC-UHFFFAOYSA-N
Compound name
5,6-bis(4-methoxyphenyl)-2-(3-phenylsulfanylpropyl)-1,2,4-triazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

459.16165 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 460.16893 211.4
[M+Na]+ 482.15087 229.9
[M+NH4]+ 477.19547 218.1
[M+K]+ 498.12481 217.6
[M-H]- 458.15437 219.1
[M+Na-2H]- 480.13632 223.4
[M]+ 459.16110 217.0
[M]- 459.16220 217.0
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.