CID 510312

4-iodo-n-[5-[1-(4-sulfamoylphenyl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide

Structural Information

Molecular Formula
C17H16IN5O3S2
SMILES
CC(C1=CC=C(C=C1)S(=O)(=O)N)NC2=NN=C(S2)NC(=O)C3=CC=C(C=C3)I
InChI
InChI=1S/C17H16IN5O3S2/c1-10(11-4-8-14(9-5-11)28(19,25)26)20-16-22-23-17(27-16)21-15(24)12-2-6-13(18)7-3-12/h2-10H,1H3,(H,20,22)(H2,19,25,26)(H,21,23,24)
InChIKey
RHSGAMPGPTYWJO-UHFFFAOYSA-N
Compound name
4-iodo-N-[5-[1-(4-sulfamoylphenyl)ethylamino]-1,3,4-thiadiazol-2-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

528.97394 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 529.98122 210.2
[M+Na]+ 551.96316 209.7
[M-H]- 527.96666 209.7
[M+NH4]+ 547.00776 214.0
[M+K]+ 567.93710 208.9
[M+H-H2O]+ 511.97120 197.8
[M+HCOO]- 573.97214 217.4
[M+CH3COO]- 587.98779 231.9
[M+Na-2H]- 549.94861 199.5
[M]+ 528.97339 208.1
[M]- 528.97449 208.1
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

No patent data available for this compound.