CID 153910

Virolongin b

Structural Information

Molecular Formula
C23H30O6
SMILES
CC(CC1=CC(=C(C(=C1)OC)OC)OC)OC2=C(C=C(C=C2OC)CC=C)OC
InChI
InChI=1S/C23H30O6/c1-8-9-16-11-20(26-5)23(21(12-16)27-6)29-15(2)10-17-13-18(24-3)22(28-7)19(14-17)25-4/h8,11-15H,1,9-10H2,2-7H3
InChIKey
ZOPUPXKPXCSWAE-UHFFFAOYSA-N
Compound name
1,3-dimethoxy-5-prop-2-enyl-2-[1-(3,4,5-trimethoxyphenyl)propan-2-yloxy]benzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

15
Patents

402.20422 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 403.21150 196.2
[M+Na]+ 425.19344 203.5
[M-H]- 401.19694 203.1
[M+NH4]+ 420.23804 207.8
[M+K]+ 441.16738 201.8
[M+H-H2O]+ 385.20148 187.1
[M+HCOO]- 447.20242 217.7
[M+CH3COO]- 461.21807 228.4
[M+Na-2H]- 423.17889 194.4
[M]+ 402.20367 208.1
[M]- 402.20477 208.1
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