CID 56624
1h-benzimidazole-2-methanamine, n-(5-(propylsulfonyl)-1,3,4-thiadiazol-2-yl)-
Structural Information
- Molecular Formula
- C13H15N5O2S2
- SMILES
- CCCS(=O)(=O)C1=NN=C(S1)N(C)C2=NC3=CC=CC=C3N2
- InChI
- InChI=1S/C13H15N5O2S2/c1-3-8-22(19,20)13-17-16-12(21-13)18(2)11-14-9-6-4-5-7-10(9)15-11/h4-7H,3,8H2,1-2H3,(H,14,15)
- InChIKey
- WHRFIVUQEFRFPV-UHFFFAOYSA-N
- Compound name
- N-(1H-benzimidazol-2-yl)-N-methyl-5-propylsulfonyl-1,3,4-thiadiazol-2-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 338.07398 | 175.3 |
[M+Na]+ | 360.05592 | 187.3 |
[M-H]- | 336.05942 | 179.7 |
[M+NH4]+ | 355.10052 | 189.5 |
[M+K]+ | 376.02986 | 182.2 |
[M+H-H2O]+ | 320.06396 | 169.0 |
[M+HCOO]- | 382.06490 | 187.1 |
[M+CH3COO]- | 396.08055 | 186.4 |
[M+Na-2H]- | 358.04137 | 176.9 |
[M]+ | 337.06615 | 182.1 |
[M]- | 337.06725 | 182.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.