CID 217589
38952-79-3
Structural Information
- Molecular Formula
- C28H37N3O9
- SMILES
- CCN(CC)CC(CN1C(=O)C2=CC(=C(C(=C2C=N1)OC)OC)OC)OC(=O)C3=CC(=C(C(=C3)OC)OC)OC
- InChI
- InChI=1S/C28H37N3O9/c1-9-30(10-2)15-18(40-28(33)17-11-21(34-3)25(38-7)22(12-17)35-4)16-31-27(32)19-13-23(36-5)26(39-8)24(37-6)20(19)14-29-31/h11-14,18H,9-10,15-16H2,1-8H3
- InChIKey
- OXVPTUQMJDQXOE-UHFFFAOYSA-N
- Compound name
- [1-(diethylamino)-3-(5,6,7-trimethoxy-1-oxophthalazin-2-yl)propan-2-yl] 3,4,5-trimethoxybenzoate
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 560.26028 | 233.3 |
[M+Na]+ | 582.24222 | 238.6 |
[M-H]- | 558.24572 | 239.5 |
[M+NH4]+ | 577.28682 | 236.2 |
[M+K]+ | 598.21616 | 239.7 |
[M+H-H2O]+ | 542.25026 | 220.8 |
[M+HCOO]- | 604.25120 | 250.5 |
[M+CH3COO]- | 618.26685 | 262.9 |
[M+Na-2H]- | 580.22767 | 230.6 |
[M]+ | 559.25245 | 250.0 |
[M]- | 559.25355 | 250.0 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.