CID 1273440
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-{[3-(4-methoxyphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetamide
Structural Information
- Molecular Formula
- C25H21N3O5S
- SMILES
- COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NC4=CC5=C(C=C4)OCCO5
- InChI
- InChI=1S/C25H21N3O5S/c1-31-18-9-7-17(8-10-18)28-24(30)19-4-2-3-5-20(19)27-25(28)34-15-23(29)26-16-6-11-21-22(14-16)33-13-12-32-21/h2-11,14H,12-13,15H2,1H3,(H,26,29)
- InChIKey
- DQOKRFFQLNVLSB-UHFFFAOYSA-N
- Compound name
- N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[3-(4-methoxyphenyl)-4-oxoquinazolin-2-yl]sulfanylacetamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 476.12746 | 209.9 |
[M+Na]+ | 498.10940 | 226.1 |
[M+NH4]+ | 493.15400 | 216.5 |
[M+K]+ | 514.08334 | 216.4 |
[M-H]- | 474.11290 | 218.9 |
[M+Na-2H]- | 496.09485 | 217.2 |
[M]+ | 475.11963 | 215.4 |
[M]- | 475.12073 | 215.4 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.