CID 6407347

332393-97-2

Structural Information

Molecular Formula
C25H18N6OS2
SMILES
C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=NN=C(S3)C4=CC=CC=C4)C5=CC=CC=C5
InChI
InChI=1S/C25H18N6OS2/c32-20(26-25-31-29-23(34-25)19-14-8-3-9-15-19)16-33-24-27-21(17-10-4-1-5-11-17)22(28-30-24)18-12-6-2-7-13-18/h1-15H,16H2,(H,26,31,32)
InChIKey
YVNGCGGUODGXSP-UHFFFAOYSA-N
Compound name
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(5-phenyl-1,3,4-thiadiazol-2-yl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

482.09836 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.10564 205.7
[M+Na]+ 505.08758 215.0
[M-H]- 481.09108 215.1
[M+NH4]+ 500.13218 208.4
[M+K]+ 521.06152 204.2
[M+H-H2O]+ 465.09562 194.7
[M+HCOO]- 527.09656 215.5
[M+CH3COO]- 541.11221 212.9
[M+Na-2H]- 503.07303 207.1
[M]+ 482.09781 207.4
[M]- 482.09891 207.4
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

No patent data available for this compound.