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 190.3
[M+Na]+ 405.13085 199.4
[M-H]- 381.13435 198.1
[M+NH4]+ 400.17545 202.5
[M+K]+ 421.10479 197.7
[M+H-H2O]+ 365.13889 181.7
[M+HCOO]- 427.13983 203.1
[M+CH3COO]- 441.15548 219.0
[M+Na-2H]- 403.11630 194.3
[M]+ 382.14108 194.1
[M]- 382.14218 194.1
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

No patent data available for this compound.