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

compound 2d structure
1
Annotation Hits

3
References

4
Patents

394.14163 Da
Monoisotopic Mass

4.1
XlogP (predicted)

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
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.