CID 10925322

2-(4-methoxyphenyl)-8,8-dimethyl-3,4-dihydro-2h-pyrano[2,3-f]chromene

Structural Information

Molecular Formula
C21H22O3
SMILES
CC1(C=CC2=C(O1)C=CC3=C2OC(CC3)C4=CC=C(C=C4)OC)C
InChI
InChI=1S/C21H22O3/c1-21(2)13-12-17-19(24-21)11-7-15-6-10-18(23-20(15)17)14-4-8-16(22-3)9-5-14/h4-5,7-9,11-13,18H,6,10H2,1-3H3
InChIKey
JVXCNINFCRFDNV-UHFFFAOYSA-N
Compound name
2-(4-methoxyphenyl)-8,8-dimethyl-3,4-dihydro-2H-pyrano[2,3-f]chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.1569 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.16418 176.9
[M+Na]+ 345.14612 185.0
[M-H]- 321.14962 186.5
[M+NH4]+ 340.19072 192.5
[M+K]+ 361.12006 183.1
[M+H-H2O]+ 305.15416 167.7
[M+HCOO]- 367.15510 192.6
[M+CH3COO]- 381.17075 188.2
[M+Na-2H]- 343.13157 183.5
[M]+ 322.15635 178.6
[M]- 322.15745 178.6
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.