CID 26195174

Viscosol

Structural Information

Molecular Formula
C23H24O7
SMILES
CC(=CCC1=C(C=CC(=C1)C2=C(C(=O)C3=C(O2)C=C(C(=C3O)OC)O)OC)OC)C
InChI
InChI=1S/C23H24O7/c1-12(2)6-7-13-10-14(8-9-16(13)27-3)21-23(29-5)20(26)18-17(30-21)11-15(24)22(28-4)19(18)25/h6,8-11,24-25H,7H2,1-5H3
InChIKey
NVPPDJQPJXYMLK-UHFFFAOYSA-N
Compound name
5,7-dihydroxy-3,6-dimethoxy-2-[4-methoxy-3-(3-methylbut-2-enyl)phenyl]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

22
Patents

412.1522 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.15948 197.2
[M+Na]+ 435.14142 206.6
[M-H]- 411.14492 204.1
[M+NH4]+ 430.18602 206.8
[M+K]+ 451.11536 204.5
[M+H-H2O]+ 395.14946 188.4
[M+HCOO]- 457.15040 214.5
[M+CH3COO]- 471.16605 226.2
[M+Na-2H]- 433.12687 197.0
[M]+ 412.15165 206.1
[M]- 412.15275 206.1
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