CID 8776
Nithiazide
Structural Information
- Molecular Formula
- C6H8N4O3S
- SMILES
- CCNC(=O)NC1=NC=C(S1)[N+](=O)[O-]
- InChI
- InChI=1S/C6H8N4O3S/c1-2-7-5(11)9-6-8-3-4(14-6)10(12)13/h3H,2H2,1H3,(H2,7,8,9,11)
- InChIKey
- FQSUTLQHSDLLAN-UHFFFAOYSA-N
- Compound name
- 1-ethyl-3-(5-nitro-1,3-thiazol-2-yl)urea
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 217.03899 | 140.6 |
[M+Na]+ | 239.02093 | 146.8 |
[M-H]- | 215.02443 | 143.4 |
[M+NH4]+ | 234.06553 | 158.4 |
[M+K]+ | 254.99487 | 141.0 |
[M+H-H2O]+ | 199.02897 | 138.0 |
[M+HCOO]- | 261.02991 | 162.5 |
[M+CH3COO]- | 275.04556 | 181.2 |
[M+Na-2H]- | 237.00638 | 145.9 |
[M]+ | 216.03116 | 139.5 |
[M]- | 216.03226 | 139.5 |