CID 3053089

69518-36-1

Structural Information

Molecular Formula
C12H13N7O2S2
SMILES
C1=CC(=CC=C1N)S(=O)(=O)N(CCC2=NNN=N2)C3=NC=CS3
InChI
InChI=1S/C12H13N7O2S2/c13-9-1-3-10(4-2-9)23(20,21)19(12-14-6-8-22-12)7-5-11-15-17-18-16-11/h1-4,6,8H,5,7,13H2,(H,15,16,17,18)
InChIKey
VKOFHJBDOCYCLJ-UHFFFAOYSA-N
Compound name
4-amino-N-[2-(2H-tetrazol-5-yl)ethyl]-N-(1,3-thiazol-2-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

351.05722 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 352.06450 169.9
[M+Na]+ 374.04644 179.8
[M+NH4]+ 369.09104 174.7
[M+K]+ 390.02038 176.4
[M-H]- 350.04994 171.9
[M+Na-2H]- 372.03189 177.2
[M]+ 351.05667 172.4
[M]- 351.05777 172.4
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.