CID 3467675

554438-92-5

Structural Information

Molecular Formula
C14H20N4O2S
SMILES
CCOC(=O)CC1=NN2C(=NN=C2SC1)C3CCCCC3
InChI
InChI=1S/C14H20N4O2S/c1-2-20-12(19)8-11-9-21-14-16-15-13(18(14)17-11)10-6-4-3-5-7-10/h10H,2-9H2,1H3
InChIKey
FJDFNAAQHNGPSI-UHFFFAOYSA-N
Compound name
ethyl 2-(3-cyclohexyl-7H-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazin-6-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

308.1307 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.13798 170.9
[M+Na]+ 331.11992 181.2
[M+NH4]+ 326.16452 177.7
[M+K]+ 347.09386 175.2
[M-H]- 307.12342 171.9
[M+Na-2H]- 329.10537 174.2
[M]+ 308.13015 172.8
[M]- 308.13125 172.8
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

No patent data available for this compound.