CID 3080280
Brn 4213335
Structural Information
- Molecular Formula
- C19H19N2O3PS2
- SMILES
- CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3S2)N4CCSC4=O
- InChI
- InChI=1S/C19H19N2O3PS2/c1-2-24-25(23,21-11-12-26-19(21)22)13-14-7-9-15(10-8-14)18-20-16-5-3-4-6-17(16)27-18/h3-10H,2,11-13H2,1H3
- InChIKey
- LXPVOXKIKAAFJW-UHFFFAOYSA-N
- Compound name
- 3-[[4-(1,3-benzothiazol-2-yl)phenyl]methyl-ethoxyphosphoryl]-1,3-thiazolidin-2-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 419.06474 | 191.0 |
[M+Na]+ | 441.04668 | 200.0 |
[M-H]- | 417.05018 | 198.7 |
[M+NH4]+ | 436.09128 | 204.7 |
[M+K]+ | 457.02062 | 195.2 |
[M+H-H2O]+ | 401.05472 | 181.9 |
[M+HCOO]- | 463.05566 | 208.0 |
[M+CH3COO]- | 477.07131 | 219.0 |
[M+Na-2H]- | 439.03213 | 187.2 |
[M]+ | 418.05691 | 196.6 |
[M]- | 418.05801 | 196.6 |
Literature stripe
Patent stripe
No patent data available for this compound.