CID 10981007

Ovalichromene b

Structural Information

Molecular Formula
C21H18O5
SMILES
CC1(C=CC2=C(O1)C=CC3=C2OC(CC3=O)C4=CC5=C(C=C4)OCO5)C
InChI
InChI=1S/C21H18O5/c1-21(2)8-7-14-16(26-21)6-4-13-15(22)10-18(25-20(13)14)12-3-5-17-19(9-12)24-11-23-17/h3-9,18H,10-11H2,1-2H3
InChIKey
JRTNAZKQGYGUQE-UHFFFAOYSA-N
Compound name
2-(1,3-benzodioxol-5-yl)-8,8-dimethyl-2,3-dihydropyrano[2,3-f]chromen-4-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

350.11542 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 351.12270 179.6
[M+Na]+ 373.10464 189.3
[M-H]- 349.10814 191.6
[M+NH4]+ 368.14924 193.9
[M+K]+ 389.07858 189.4
[M+H-H2O]+ 333.11268 172.3
[M+HCOO]- 395.11362 192.7
[M+CH3COO]- 409.12927 191.4
[M+Na-2H]- 371.09009 185.2
[M]+ 350.11487 183.3
[M]- 350.11597 183.3
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.