CID 9799510
Chembl40832
Structural Information
- Molecular Formula
- C20H22N2O5
- SMILES
- CN(C)CCCNC(=O)C1=CC2=C(C(O1)OC)C(=O)C3=CC=CC=C3C2=O
- InChI
- InChI=1S/C20H22N2O5/c1-22(2)10-6-9-21-19(25)15-11-14-16(20(26-3)27-15)18(24)13-8-5-4-7-12(13)17(14)23/h4-5,7-8,11,20H,6,9-10H2,1-3H3,(H,21,25)
- InChIKey
- PFPVQJAKWPMYDX-UHFFFAOYSA-N
- Compound name
- N-[3-(dimethylamino)propyl]-1-methoxy-5,10-dioxo-1H-benzo[g]isochromene-3-carboxamide
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 371.16014 | 186.2 |
[M+Na]+ | 393.14208 | 197.2 |
[M+NH4]+ | 388.18668 | 192.3 |
[M+K]+ | 409.11602 | 191.6 |
[M-H]- | 369.14558 | 190.1 |
[M+Na-2H]- | 391.12753 | 188.4 |
[M]+ | 370.15231 | 188.6 |
[M]- | 370.15341 | 188.6 |