CID 5319664

Schembl755169

Structural Information

Molecular Formula
C21H22O4
SMILES
CC1(C=CC2=C(O1)C=CC3=C2OCC(C3)C4=C(C=C(C=C4)OC)O)C
InChI
InChI=1S/C21H22O4/c1-21(2)9-8-17-19(25-21)7-4-13-10-14(12-24-20(13)17)16-6-5-15(23-3)11-18(16)22/h4-9,11,14,22H,10,12H2,1-3H3
InChIKey
ZZAIPFIGEGQNHP-UHFFFAOYSA-N
Compound name
2-(8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromen-3-yl)-5-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

1
References

81
Patents

338.1518 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 339.15908 180.5
[M+Na]+ 361.14102 188.9
[M-H]- 337.14452 189.1
[M+NH4]+ 356.18562 194.9
[M+K]+ 377.11496 186.9
[M+H-H2O]+ 321.14906 171.7
[M+HCOO]- 383.15000 194.8
[M+CH3COO]- 397.16565 191.3
[M+Na-2H]- 359.12647 186.2
[M]+ 338.15125 182.5
[M]- 338.15235 182.5
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