CID 3053095

69518-42-9

Structural Information

Molecular Formula
C13H14N8O2S
SMILES
C1=CN=C(N=C1)N(CCC2=NNN=N2)S(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C13H14N8O2S/c14-10-2-4-11(5-3-10)24(22,23)21(13-15-7-1-8-16-13)9-6-12-17-19-20-18-12/h1-5,7-8H,6,9,14H2,(H,17,18,19,20)
InChIKey
OPFSHKXOTVDONY-UHFFFAOYSA-N
Compound name
4-amino-N-pyrimidin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

346.09604 Da
Monoisotopic Mass

0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.10332 170.1
[M+Na]+ 369.08526 181.1
[M+NH4]+ 364.12986 173.8
[M+K]+ 385.05920 177.9
[M-H]- 345.08876 171.6
[M+Na-2H]- 367.07071 178.6
[M]+ 346.09549 172.1
[M]- 346.09659 172.1
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

patents stripe