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

literature stripe

Patent stripe

patents stripe