CID 6402818

95663-79-9

Structural Information

Molecular Formula
C21H18N6OS2
SMILES
CCC1=NN=C(S1)NC(=O)CSC2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H18N6OS2/c1-2-17-24-27-21(30-17)22-16(28)13-29-20-23-18(14-9-5-3-6-10-14)19(25-26-20)15-11-7-4-8-12-15/h3-12H,2,13H2,1H3,(H,22,27,28)
InChIKey
OITDWBKRWVXCHH-UHFFFAOYSA-N
Compound name
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(5-ethyl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

434.09836 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 435.10564 192.7
[M+Na]+ 457.08758 208.0
[M+NH4]+ 452.13218 199.2
[M+K]+ 473.06152 198.2
[M-H]- 433.09108 199.1
[M+Na-2H]- 455.07303 203.6
[M]+ 434.09781 197.6
[M]- 434.09891 197.6
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.