CID 383497

Nsc671882

Structural Information

Molecular Formula
C10H17N5O2S
SMILES
CCOC(CNC1=NN2C(=NN=C2S1)C)OCC
InChI
InChI=1S/C10H17N5O2S/c1-4-16-8(17-5-2)6-11-9-14-15-7(3)12-13-10(15)18-9/h8H,4-6H2,1-3H3,(H,11,14)
InChIKey
JBQSWZYMNLKSBW-UHFFFAOYSA-N
Compound name
N-(2,2-diethoxyethyl)-3-methyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

271.1103 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 272.11758 158.7
[M+Na]+ 294.09952 169.0
[M-H]- 270.10302 159.4
[M+NH4]+ 289.14412 175.3
[M+K]+ 310.07346 167.1
[M+H-H2O]+ 254.10756 151.0
[M+HCOO]- 316.10850 176.2
[M+CH3COO]- 330.12415 198.5
[M+Na-2H]- 292.08497 160.1
[M]+ 271.10975 167.6
[M]- 271.11085 167.6
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.