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 159.5
[M+Na]+ 290.07222 167.2
[M-H]- 266.07572 162.3
[M+NH4]+ 285.11682 170.7
[M+K]+ 306.04616 158.5
[M+H-H2O]+ 250.08026 150.4
[M+HCOO]- 312.08120 170.5
[M+CH3COO]- 326.09685 168.9
[M+Na-2H]- 288.05767 162.5
[M]+ 267.08245 153.7
[M]- 267.08355 153.7
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.