CID 104020492

1565948-97-1

Structural Information

Molecular Formula
C6H12N4O3S
SMILES
CC1=NN=C(N1CCOC)S(=O)(=O)N
InChI
InChI=1S/C6H12N4O3S/c1-5-8-9-6(14(7,11)12)10(5)3-4-13-2/h3-4H2,1-2H3,(H2,7,11,12)
InChIKey
RDBZCXFVYTWDCW-UHFFFAOYSA-N
Compound name
4-(2-methoxyethyl)-5-methyl-1,2,4-triazole-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

220.06302 Da
Monoisotopic Mass

-1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 221.070296 146.0
[M+Na]+ 243.052238 156.5
[M-H]- 219.055744 146.4
[M+NH4]+ 238.096843 162.7
[M+K]+ 259.026178 154.4
[M+H-H2O]+ 203.060280 139.2
[M+HCOO]- 265.061221 163.0
[M+CH3COO]- 279.076871 185.8
[M+Na-2H]- 241.037686 148.7
[M]+ 220.06247142 150.5
[M]- 220.06356858 150.5
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.