CID 3053193

1,2,4-triazine-3(2h)-thione, 5,6-bis(4-methoxyphenyl)-2-methyl-

Structural Information

Molecular Formula
C18H17N3O2S
SMILES
CN1C(=S)N=C(C(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC
InChI
InChI=1S/C18H17N3O2S/c1-21-18(24)19-16(12-4-8-14(22-2)9-5-12)17(20-21)13-6-10-15(23-3)11-7-13/h4-11H,1-3H3
InChIKey
GVKKFAXSKSXOMH-UHFFFAOYSA-N
Compound name
5,6-bis(4-methoxyphenyl)-2-methyl-1,2,4-triazine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.10416 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 340.11144 179.3
[M+Na]+ 362.09338 197.1
[M+NH4]+ 357.13798 186.8
[M+K]+ 378.06732 186.5
[M-H]- 338.09688 184.9
[M+Na-2H]- 360.07883 189.7
[M]+ 339.10361 184.1
[M]- 339.10471 184.1
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.