CID 503151
2-[(4-amino-1-benzyl-2,2-dioxo-6-phenyl-imidazo[4,5-c][1,2,6]thiadiazin-7-yl)methoxy]ethyl acetate
Structural Information
- Molecular Formula
- C22H23N5O5S
- SMILES
- CC(=O)OCCOCN1C2=C(C(=NS(=O)(=O)N2CC3=CC=CC=C3)N)N=C1C4=CC=CC=C4
- InChI
- InChI=1S/C22H23N5O5S/c1-16(28)32-13-12-31-15-26-21(18-10-6-3-7-11-18)24-19-20(23)25-33(29,30)27(22(19)26)14-17-8-4-2-5-9-17/h2-11H,12-15H2,1H3,(H2,23,25)
- InChIKey
- HFOFDPDTECGNKE-UHFFFAOYSA-N
- Compound name
- 2-[(4-amino-1-benzyl-2,2-dioxo-6-phenylimidazo[4,5-c][1,2,6]thiadiazin-7-yl)methoxy]ethyl acetate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 470.14928 | 207.8 |
[M+Na]+ | 492.13122 | 216.6 |
[M-H]- | 468.13472 | 213.5 |
[M+NH4]+ | 487.17582 | 214.9 |
[M+K]+ | 508.10516 | 210.9 |
[M+H-H2O]+ | 452.13926 | 197.4 |
[M+HCOO]- | 514.14020 | 220.6 |
[M+CH3COO]- | 528.15585 | 215.6 |
[M+Na-2H]- | 490.11667 | 208.7 |
[M]+ | 469.14145 | 214.4 |
[M]- | 469.14255 | 214.4 |
Literature stripe
Patent stripe
No patent data available for this compound.