CID 389000

Exoticin

Structural Information

Molecular Formula
C23H26O10
SMILES
COC1=CC(=CC(=C1OC)OC)C2=C(C(=O)C3=C(O2)C(=C(C(=C3OC)OC)OC)OC)OC
InChI
InChI=1S/C23H26O10/c1-25-12-9-11(10-13(26-2)17(12)27-3)16-20(29-5)15(24)14-18(28-4)21(30-6)23(32-8)22(31-7)19(14)33-16/h9-10H,1-8H3
InChIKey
XOMNGQLSQXRGSF-UHFFFAOYSA-N
Compound name
3,5,6,7,8-pentamethoxy-2-(3,4,5-trimethoxyphenyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

18
Patents

462.1526 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.15988 204.2
[M+Na]+ 485.14182 215.0
[M-H]- 461.14532 214.3
[M+NH4]+ 480.18642 213.3
[M+K]+ 501.11576 217.4
[M+H-H2O]+ 445.14986 194.0
[M+HCOO]- 507.15080 225.5
[M+CH3COO]- 521.16645 240.3
[M+Na-2H]- 483.12727 205.4
[M]+ 462.15205 223.1
[M]- 462.15315 223.1
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