CID 455904

Pyranocoumarin o-pyran deriv.

Structural Information

Molecular Formula
C19H22O6
SMILES
CC1(C(C(C2=C(O1)C=CC3=C2OC(=O)C=C3)O)OC4CCCCO4)C
InChI
InChI=1S/C19H22O6/c1-19(2)18(24-14-5-3-4-10-22-14)16(21)15-12(25-19)8-6-11-7-9-13(20)23-17(11)15/h6-9,14,16,18,21H,3-5,10H2,1-2H3
InChIKey
FOYNTDDSDCQRPF-UHFFFAOYSA-N
Compound name
10-hydroxy-8,8-dimethyl-9-(oxan-2-yloxy)-9,10-dihydropyrano[2,3-f]chromen-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

346.14163 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 347.14891 178.7
[M+Na]+ 369.13085 186.1
[M-H]- 345.13435 187.5
[M+NH4]+ 364.17545 191.1
[M+K]+ 385.10479 186.6
[M+H-H2O]+ 329.13889 170.2
[M+HCOO]- 391.13983 190.3
[M+CH3COO]- 405.15548 189.1
[M+Na-2H]- 367.11630 184.6
[M]+ 346.14108 180.2
[M]- 346.14218 180.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.