CID 131753030

Kanzonol o

Structural Information

Molecular Formula
C22H22O6
SMILES
CC1(C=CC2=C(C=CC(=C2O1)C3CC4=C(C=C(C(=C4OC3)C=O)O)OC)O)C
InChI
InChI=1S/C22H22O6/c1-22(2)7-6-14-17(24)5-4-13(21(14)28-22)12-8-15-19(26-3)9-18(25)16(10-23)20(15)27-11-12/h4-7,9-10,12,24-25H,8,11H2,1-3H3
InChIKey
KSXQVRGDUCBPNX-UHFFFAOYSA-N
Compound name
7-hydroxy-3-(5-hydroxy-2,2-dimethylchromen-8-yl)-5-methoxy-3,4-dihydro-2H-chromene-8-carbaldehyde
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

382.14163 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.14891 189.3
[M+Na]+ 405.13085 204.3
[M+NH4]+ 400.17545 197.8
[M+K]+ 421.10479 196.1
[M-H]- 381.13435 195.9
[M+Na-2H]- 403.11630 194.1
[M]+ 382.14108 193.6
[M]- 382.14218 193.6
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

No patent data available for this compound.