CID 3053094

69518-41-8

Structural Information

Molecular Formula
C14H15N7O2S
SMILES
C1=CC=NC(=C1)N(CCC2=NNN=N2)S(=O)(=O)C3=CC=C(C=C3)N
InChI
InChI=1S/C14H15N7O2S/c15-11-4-6-12(7-5-11)24(22,23)21(14-3-1-2-9-16-14)10-8-13-17-19-20-18-13/h1-7,9H,8,10,15H2,(H,17,18,19,20)
InChIKey
CZSHNVBLPFCMFV-UHFFFAOYSA-N
Compound name
4-amino-N-pyridin-2-yl-N-[2-(2H-tetrazol-5-yl)ethyl]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.1008 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.10808 175.3
[M+Na]+ 368.09002 183.4
[M-H]- 344.09352 179.2
[M+NH4]+ 363.13462 182.7
[M+K]+ 384.06396 177.4
[M+H-H2O]+ 328.09806 165.0
[M+HCOO]- 390.09900 190.0
[M+CH3COO]- 404.11465 184.3
[M+Na-2H]- 366.07547 180.4
[M]+ 345.10025 175.6
[M]- 345.10135 175.6
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.