CID 3047201

Brn 0889392

Structural Information

Molecular Formula
C18H17N3S
SMILES
CC1=CC=C(C=C1)C2=C(N=NC(=N2)SC)C3=CC=C(C=C3)C
InChI
InChI=1S/C18H17N3S/c1-12-4-8-14(9-5-12)16-17(20-21-18(19-16)22-3)15-10-6-13(2)7-11-15/h4-11H,1-3H3
InChIKey
YYOHQNLEWWGIMQ-UHFFFAOYSA-N
Compound name
5,6-bis(4-methylphenyl)-3-methylsulfanyl-1,2,4-triazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

307.11432 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.12160 171.9
[M+Na]+ 330.10354 190.4
[M+NH4]+ 325.14814 181.0
[M+K]+ 346.07748 178.7
[M-H]- 306.10704 178.7
[M+Na-2H]- 328.08899 183.6
[M]+ 307.11377 177.4
[M]- 307.11487 177.4
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

patents stripe