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]+ 221.07030 147.8
[M+Na]+ 243.05224 156.4
[M+NH4]+ 238.09684 152.7
[M+K]+ 259.02618 153.6
[M-H]- 219.05574 145.5
[M+Na-2H]- 241.03769 149.9
[M]+ 220.06247 148.4
[M]- 220.06357 148.4
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.