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
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 309.13798 | 171.2 |
[M+Na]+ | 331.11992 | 177.4 |
[M-H]- | 307.12342 | 172.6 |
[M+NH4]+ | 326.16452 | 183.8 |
[M+K]+ | 347.09386 | 173.7 |
[M+H-H2O]+ | 291.12796 | 162.0 |
[M+HCOO]- | 353.12890 | 180.1 |
[M+CH3COO]- | 367.14455 | 180.0 |
[M+Na-2H]- | 329.10537 | 170.2 |
[M]+ | 308.13015 | 171.0 |
[M]- | 308.13125 | 171.0 |
Literature stripe
Patent stripe
No patent data available for this compound.