CID 3038148

5,6-diphenyl-4,5-dihydro-as-triazine-3(2h)-thione

Structural Information

Molecular Formula
C15H13N3S
SMILES
C1=CC=C(C=C1)C2C(=NNC(=S)N2)C3=CC=CC=C3
InChI
InChI=1S/C15H13N3S/c19-15-16-13(11-7-3-1-4-8-11)14(17-18-15)12-9-5-2-6-10-12/h1-10,13H,(H2,16,18,19)
InChIKey
IOSAMIZRIBBJFR-UHFFFAOYSA-N
Compound name
5,6-diphenyl-4,5-dihydro-2H-1,2,4-triazine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

267.083 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.09028 159.4
[M+Na]+ 290.07222 174.9
[M+NH4]+ 285.11682 167.8
[M+K]+ 306.04616 164.5
[M-H]- 266.07572 164.4
[M+Na-2H]- 288.05767 169.4
[M]+ 267.08245 163.5
[M]- 267.08355 163.5
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.