CID 1610384

2-{[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl}-n-(4-sulfamoylphenyl)acetamide

Structural Information

Molecular Formula
C17H16N4O3S4
SMILES
C1=CC=C(C=C1)CSC2=NN=C(S2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N
InChI
InChI=1S/C17H16N4O3S4/c18-28(23,24)14-8-6-13(7-9-14)19-15(22)11-26-17-21-20-16(27-17)25-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,19,22)(H2,18,23,24)
InChIKey
SXQYTBDSUORZHD-UHFFFAOYSA-N
Compound name
2-[(5-benzylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

452.01053 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 453.01781 199.9
[M+Na]+ 474.99975 207.4
[M-H]- 451.00325 203.6
[M+NH4]+ 470.04435 207.1
[M+K]+ 490.97369 195.9
[M+H-H2O]+ 435.00779 192.8
[M+HCOO]- 497.00873 201.2
[M+CH3COO]- 511.02438 205.8
[M+Na-2H]- 472.98520 202.3
[M]+ 452.00998 198.8
[M]- 452.01108 198.8
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.