CID 3086755
5-(3,4-dimethoxy-6-methyl-2,5-benzoquinonyl)-5-phenyl-1-morpholino-1-oxopentane
Structural Information
- Molecular Formula
- C24H29NO6
- SMILES
- CC1=C(C(=O)C(=C(C1=O)OC)OC)C(CCCC(=O)N2CCOCC2)C3=CC=CC=C3
- InChI
- InChI=1S/C24H29NO6/c1-16-20(22(28)24(30-3)23(29-2)21(16)27)18(17-8-5-4-6-9-17)10-7-11-19(26)25-12-14-31-15-13-25/h4-6,8-9,18H,7,10-15H2,1-3H3
- InChIKey
- JZNNZUSJYKWKEA-UHFFFAOYSA-N
- Compound name
- 2,3-dimethoxy-5-methyl-6-(5-morpholin-4-yl-5-oxo-1-phenylpentyl)cyclohexa-2,5-diene-1,4-dione
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 428.20678 | 203.1 |
[M+Na]+ | 450.18872 | 206.7 |
[M-H]- | 426.19222 | 211.0 |
[M+NH4]+ | 445.23332 | 209.5 |
[M+K]+ | 466.16266 | 205.0 |
[M+H-H2O]+ | 410.19676 | 192.3 |
[M+HCOO]- | 472.19770 | 217.0 |
[M+CH3COO]- | 486.21335 | 229.6 |
[M+Na-2H]- | 448.17417 | 199.7 |
[M]+ | 427.19895 | 205.5 |
[M]- | 427.20005 | 205.5 |
Literature stripe
No literature data available for this compound.