CID 45315
63917-72-6
Structural Information
- Molecular Formula
- C21H26N2O4
- SMILES
- CCNC1=CC=C2C(=CC1=O)C(CCC3=CC(=C(C(=C32)OC)OC)OC)N
- InChI
- InChI=1S/C21H26N2O4/c1-5-23-16-9-7-13-14(11-17(16)24)15(22)8-6-12-10-18(25-2)20(26-3)21(27-4)19(12)13/h7,9-11,15H,5-6,8,22H2,1-4H3,(H,23,24)
- InChIKey
- VYUFNWRNNZSPHQ-UHFFFAOYSA-N
- Compound name
- 7-amino-10-(ethylamino)-1,2,3-trimethoxy-6,7-dihydro-5H-benzo[a]heptalen-9-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 371.19655 | 191.0 |
[M+Na]+ | 393.17849 | 198.9 |
[M-H]- | 369.18199 | 199.3 |
[M+NH4]+ | 388.22309 | 203.7 |
[M+K]+ | 409.15243 | 202.4 |
[M+H-H2O]+ | 353.18653 | 187.3 |
[M+HCOO]- | 415.18747 | 209.1 |
[M+CH3COO]- | 429.20312 | 229.8 |
[M+Na-2H]- | 391.16394 | 192.3 |
[M]+ | 370.18872 | 191.1 |
[M]- | 370.18982 | 191.1 |
Literature stripe
No literature data available for this compound.
Patent stripe
No patent data available for this compound.