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 174.8
[M+Na]+ 369.08526 183.4
[M-H]- 345.08876 177.7
[M+NH4]+ 364.12986 180.8
[M+K]+ 385.05920 177.2
[M+H-H2O]+ 329.09330 164.3
[M+HCOO]- 391.09424 188.5
[M+CH3COO]- 405.10989 183.5
[M+Na-2H]- 367.07071 180.4
[M]+ 346.09549 175.2
[M]- 346.09659 175.2
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