CID 135564749
Apabetalone
Structural Information
- Molecular Formula
- C20H22N2O5
- SMILES
- CC1=CC(=CC(=C1OCCO)C)C2=NC3=C(C(=CC(=C3)OC)OC)C(=O)N2
- InChI
- InChI=1S/C20H22N2O5/c1-11-7-13(8-12(2)18(11)27-6-5-23)19-21-15-9-14(25-3)10-16(26-4)17(15)20(24)22-19/h7-10,23H,5-6H2,1-4H3,(H,21,22,24)
- InChIKey
- NETXMUIMUZJUTB-UHFFFAOYSA-N
- Compound name
- 2-[4-(2-hydroxyethoxy)-3,5-dimethylphenyl]-5,7-dimethoxy-3H-quinazolin-4-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 371.16014 | 189.8 |
[M+Na]+ | 393.14208 | 205.1 |
[M+NH4]+ | 388.18668 | 195.1 |
[M+K]+ | 409.11602 | 198.3 |
[M-H]- | 369.14558 | 191.9 |
[M+Na-2H]- | 391.12753 | 195.0 |
[M]+ | 370.15231 | 192.6 |
[M]- | 370.15341 | 192.6 |