CID 3051993

68289-27-0

Structural Information

Molecular Formula
C20H23N5S
SMILES
CN1C(=S)N=C(C(=N1)C2=CC=C(C=C2)N(C)C)C3=CC=C(C=C3)N(C)C
InChI
InChI=1S/C20H23N5S/c1-23(2)16-10-6-14(7-11-16)18-19(22-25(5)20(26)21-18)15-8-12-17(13-9-15)24(3)4/h6-13H,1-5H3
InChIKey
UJRPPTWJVRSRQJ-UHFFFAOYSA-N
Compound name
5,6-bis[4-(dimethylamino)phenyl]-2-methyl-1,2,4-triazine-3-thione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.16742 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.17470 186.8
[M+Na]+ 388.15664 202.9
[M+NH4]+ 383.20124 194.5
[M+K]+ 404.13058 192.8
[M-H]- 364.16014 194.3
[M+Na-2H]- 386.14209 197.8
[M]+ 365.16687 191.9
[M]- 365.16797 191.9
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.