CID 11697734

Chembl208008

Structural Information

Molecular Formula
C18H20N6O3S2
SMILES
CC1=CC(=C(C(=C1)C)N2C(=NN=N2)SCC(=O)NC3=CC=C(C=C3)S(=O)(=O)N)C
InChI
InChI=1S/C18H20N6O3S2/c1-11-8-12(2)17(13(3)9-11)24-18(21-22-23-24)28-10-16(25)20-14-4-6-15(7-5-14)29(19,26)27/h4-9H,10H2,1-3H3,(H,20,25)(H2,19,26,27)
InChIKey
XSLXWOXOADEZOG-UHFFFAOYSA-N
Compound name
N-(4-sulfamoylphenyl)-2-[1-(2,4,6-trimethylphenyl)tetrazol-5-yl]sulfanylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

432.10382 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 433.11110 200.2
[M+Na]+ 455.09304 209.8
[M-H]- 431.09654 205.5
[M+NH4]+ 450.13764 206.7
[M+K]+ 471.06698 201.9
[M+H-H2O]+ 415.10108 191.6
[M+HCOO]- 477.10202 209.8
[M+CH3COO]- 491.11767 228.3
[M+Na-2H]- 453.07849 199.6
[M]+ 432.10327 204.3
[M]- 432.10437 204.3
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.