CID 19982870

139481-22-4

Structural Information

Molecular Formula
C6H9N7O2S
SMILES
CN1C(=C(C=N1)C2=NN(N=N2)C)S(=O)(=O)N
InChI
InChI=1S/C6H9N7O2S/c1-12-6(16(7,14)15)4(3-8-12)5-9-11-13(2)10-5/h3H,1-2H3,(H2,7,14,15)
InChIKey
UEPZNFSFXYSLKP-UHFFFAOYSA-N
Compound name
1-methyl-4-(2-methyltetrazol-5-yl)pyrazole-5-sulfonamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

3
References

10
Patents

243.05385 Da
Monoisotopic Mass

-1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.06113 152.4
[M+Na]+ 266.04307 166.5
[M-H]- 242.04657 154.1
[M+NH4]+ 261.08767 166.2
[M+K]+ 282.01701 163.0
[M+H-H2O]+ 226.05111 144.6
[M+HCOO]- 288.05205 169.0
[M+CH3COO]- 302.06770 190.0
[M+Na-2H]- 264.02852 154.2
[M]+ 243.05330 157.2
[M]- 243.05440 157.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe