CID 3950722
Dehydrodihydrorotenone
Structural Information
- Molecular Formula
- C23H22O6
- SMILES
- CC(C)C1CC2=C(O1)C=CC3=C2OC4=C(C3=O)C5=CC(=C(C=C5OC4)OC)OC
- InChI
- InChI=1S/C23H22O6/c1-11(2)16-8-14-15(28-16)6-5-12-22(24)21-13-7-18(25-3)19(26-4)9-17(13)27-10-20(21)29-23(12)14/h5-7,9,11,16H,8,10H2,1-4H3
- InChIKey
- BHCBWJBSVOKHRJ-UHFFFAOYSA-N
- Compound name
- 16,17-dimethoxy-6-propan-2-yl-2,7,20-trioxapentacyclo[11.8.0.03,11.04,8.014,19]henicosa-1(13),3(11),4(8),9,14,16,18-heptaen-12-one
- Related CIDs
2D Structure
Profile
Predicted Collision Cross Section
Adduct | m/z | Predicted CCS (Ų) |
---|---|---|
[M+H]+ | 395.14891 | 192.0 |
[M+Na]+ | 417.13085 | 202.0 |
[M-H]- | 393.13435 | 201.7 |
[M+NH4]+ | 412.17545 | 205.4 |
[M+K]+ | 433.10479 | 201.7 |
[M+H-H2O]+ | 377.13889 | 184.8 |
[M+HCOO]- | 439.13983 | 205.3 |
[M+CH3COO]- | 453.15548 | 203.1 |
[M+Na-2H]- | 415.11630 | 195.4 |
[M]+ | 394.14108 | 200.9 |
[M]- | 394.14218 | 200.9 |