CID 44476436
Avn-322
Structural Information
- Molecular Formula
- C17H19N5O2S
- SMILES
- CNC1=NN2C3=C(CN(CC3)C)C=NC2=C1S(=O)(=O)C4=CC=CC=C4
- InChI
- InChI=1S/C17H19N5O2S/c1-18-16-15(25(23,24)13-6-4-3-5-7-13)17-19-10-12-11-21(2)9-8-14(12)22(17)20-16/h3-7,10H,8-9,11H2,1-2H3,(H,18,20)
- InChIKey
- OSHBEPOEBKFEEK-UHFFFAOYSA-N
- Compound name
- 5-(benzenesulfonyl)-N,11-dimethyl-2,3,7,11-tetrazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7-tetraen-4-amine
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 358.13323 | 183.9 |
[M+Na]+ | 380.11517 | 194.8 |
[M-H]- | 356.11867 | 188.1 |
[M+NH4]+ | 375.15977 | 195.7 |
[M+K]+ | 396.08911 | 188.3 |
[M+H-H2O]+ | 340.12321 | 175.1 |
[M+HCOO]- | 402.12415 | 196.2 |
[M+CH3COO]- | 416.13980 | 193.8 |
[M+Na-2H]- | 378.10062 | 188.9 |
[M]+ | 357.12540 | 187.3 |
[M]- | 357.12650 | 187.3 |