CID 5320428

Artoindonesianin q

Structural Information

Molecular Formula
C22H22O7
SMILES
CC(=CCC1=C(OC2=CC(=CC(=C2C1=O)O)OC)C3=CC(=C(C=C3O)OC)O)C
InChI
InChI=1S/C22H22O7/c1-11(2)5-6-13-21(26)20-17(25)7-12(27-3)8-19(20)29-22(13)14-9-16(24)18(28-4)10-15(14)23/h5,7-10,23-25H,6H2,1-4H3
InChIKey
YIGFIYUYIAFKOH-UHFFFAOYSA-N
Compound name
2-(2,5-dihydroxy-4-methoxyphenyl)-5-hydroxy-7-methoxy-3-(3-methylbut-2-enyl)chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

398.13657 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.14385 193.1
[M+Na]+ 421.12579 202.5
[M-H]- 397.12929 198.8
[M+NH4]+ 416.17039 202.6
[M+K]+ 437.09973 199.9
[M+H-H2O]+ 381.13383 184.8
[M+HCOO]- 443.13477 209.2
[M+CH3COO]- 457.15042 221.2
[M+Na-2H]- 419.11124 192.9
[M]+ 398.13602 200.0
[M]- 398.13712 200.0
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