CID 44258292

Artocarpin (flavonoid); nsc 241010

Structural Information

Molecular Formula
C26H28O6
SMILES
CC(=CCC1=C(C=C2C(=C1O)C(=O)C(=C(O2)C3=C(C=C(C=C3)O)O)CC=C(C)C)OC)C
InChI
InChI=1S/C26H28O6/c1-14(2)6-9-18-21(31-5)13-22-23(24(18)29)25(30)19(10-7-15(3)4)26(32-22)17-11-8-16(27)12-20(17)28/h6-8,11-13,27-29H,9-10H2,1-5H3
InChIKey
AAXZLRPBJQFZQA-UHFFFAOYSA-N
Compound name
2-(2,4-dihydroxyphenyl)-5-hydroxy-7-methoxy-3,6-bis(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

34
References

335
Patents

436.1886 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.19588 207.0
[M+Na]+ 459.17782 215.0
[M-H]- 435.18132 212.1
[M+NH4]+ 454.22242 214.9
[M+K]+ 475.15176 210.7
[M+H-H2O]+ 419.18586 198.6
[M+HCOO]- 481.18680 220.8
[M+CH3COO]- 495.20245 230.3
[M+Na-2H]- 457.16327 203.5
[M]+ 436.18805 212.4
[M]- 436.18915 212.4
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