CID 15956709

Chembl383088

Structural Information

Molecular Formula
C15H11Cl3N6O3S2
SMILES
C1=CC(=C(C(=C1)Cl)Cl)N2C(=NN=N2)SCC(=O)NC3=C(C=C(C=C3)S(=O)(=O)N)Cl
InChI
InChI=1S/C15H11Cl3N6O3S2/c16-9-2-1-3-12(14(9)18)24-15(21-22-23-24)28-7-13(25)20-11-5-4-8(6-10(11)17)29(19,26)27/h1-6H,7H2,(H,20,25)(H2,19,26,27)
InChIKey
WWWSVFOEZLBSRA-UHFFFAOYSA-N
Compound name
N-(2-chloro-4-sulfamoylphenyl)-2-[1-(2,3-dichlorophenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

491.93997 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.94725 200.4
[M+Na]+ 514.92919 210.7
[M-H]- 490.93269 204.9
[M+NH4]+ 509.97379 206.2
[M+K]+ 530.90313 202.9
[M+H-H2O]+ 474.93723 193.6
[M+HCOO]- 536.93817 196.5
[M+CH3COO]- 550.95382 207.5
[M+Na-2H]- 512.91464 199.4
[M]+ 491.93942 206.1
[M]- 491.94052 206.1
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.