CID 56625
1h-benzimidazole-2-methanamine, n-(5-(butylsulfonyl)-1,3,4-thiadiazol-2-yl)-
Structural Information
- Molecular Formula
- C14H17N5O2S2
- SMILES
- CCCCS(=O)(=O)C1=NN=C(S1)N(C)C2=NC3=CC=CC=C3N2
- InChI
- InChI=1S/C14H17N5O2S2/c1-3-4-9-23(20,21)14-18-17-13(22-14)19(2)12-15-10-7-5-6-8-11(10)16-12/h5-8H,3-4,9H2,1-2H3,(H,15,16)
- InChIKey
- UYDUDWYRVKEANE-UHFFFAOYSA-N
- Compound name
- N-(1H-benzimidazol-2-yl)-5-butylsulfonyl-N-methyl-1,3,4-thiadiazol-2-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 352.08965 | 179.3 |
[M+Na]+ | 374.07159 | 190.8 |
[M-H]- | 350.07509 | 183.5 |
[M+NH4]+ | 369.11619 | 192.9 |
[M+K]+ | 390.04553 | 185.5 |
[M+H-H2O]+ | 334.07963 | 172.8 |
[M+HCOO]- | 396.08057 | 190.8 |
[M+CH3COO]- | 410.09622 | 190.0 |
[M+Na-2H]- | 372.05704 | 180.5 |
[M]+ | 351.08182 | 186.4 |
[M]- | 351.08292 | 186.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.