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 188.6
[M+Na]+ 388.15664 197.8
[M-H]- 364.16014 197.8
[M+NH4]+ 383.20124 198.6
[M+K]+ 404.13058 191.7
[M+H-H2O]+ 348.16468 177.1
[M+HCOO]- 410.16562 206.2
[M+CH3COO]- 424.18127 198.9
[M+Na-2H]- 386.14209 189.7
[M]+ 365.16687 193.1
[M]- 365.16797 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