CID 81587952

1512443-31-0

Structural Information

Molecular Formula
C9H11N7O4S
SMILES
CNC1=C(C=C(C=C1)S(=O)(=O)NC2=NN(N=N2)C)[N+](=O)[O-]
InChI
InChI=1S/C9H11N7O4S/c1-10-7-4-3-6(5-8(7)16(17)18)21(19,20)13-9-11-14-15(2)12-9/h3-5,10H,1-2H3,(H,12,13)
InChIKey
LNSHYXPEQQLULH-UHFFFAOYSA-N
Compound name
4-(methylamino)-N-(2-methyltetrazol-5-yl)-3-nitrobenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

313.05933 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.06661 162.9
[M+Na]+ 336.04855 170.9
[M-H]- 312.05205 166.3
[M+NH4]+ 331.09315 172.9
[M+K]+ 352.02249 163.0
[M+H-H2O]+ 296.05659 158.4
[M+HCOO]- 358.05753 181.4
[M+CH3COO]- 372.07318 199.1
[M+Na-2H]- 334.03400 171.8
[M]+ 313.05878 163.1
[M]- 313.05988 163.1
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

No patent data available for this compound.