CID 6405777

337505-07-4

Structural Information

Molecular Formula
C23H19N5O3S2
SMILES
C1=CC=C(C=C1)C2=C(N=NC(=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C4=CC=CC=C4
InChI
InChI=1S/C23H19N5O3S2/c24-33(30,31)19-13-11-18(12-14-19)25-20(29)15-32-23-26-21(16-7-3-1-4-8-16)22(27-28-23)17-9-5-2-6-10-17/h1-14H,15H2,(H,25,29)(H2,24,30,31)
InChIKey
HIIGDUXYBHQEJB-UHFFFAOYSA-N
Compound name
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

477.09293 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 478.10021 207.8
[M+Na]+ 500.08215 214.8
[M-H]- 476.08565 215.3
[M+NH4]+ 495.12675 210.4
[M+K]+ 516.05609 205.2
[M+H-H2O]+ 460.09019 196.8
[M+HCOO]- 522.09113 217.6
[M+CH3COO]- 536.10678 214.2
[M+Na-2H]- 498.06760 212.3
[M]+ 477.09238 208.3
[M]- 477.09348 208.3
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.