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

1
Patents

365.16742 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.174696 188.6
[M+Na]+ 388.156638 197.8
[M-H]- 364.160144 197.8
[M+NH4]+ 383.201243 198.6
[M+K]+ 404.130578 191.7
[M+H-H2O]+ 348.164680 177.1
[M+HCOO]- 410.165621 206.2
[M+CH3COO]- 424.181271 198.9
[M+Na-2H]- 386.142086 189.7
[M]+ 365.16687142 193.1
[M]- 365.16796858 193.1
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

patents stripe