CID 3067880

Brn 5295816

Structural Information

Molecular Formula
C22H26O2
SMILES
COC1=CC=C(C=C1)C2CC(OC3C2CCCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H26O2/c1-23-18-13-11-16(12-14-18)20-15-22(17-7-3-2-4-8-17)24-21-10-6-5-9-19(20)21/h2-4,7-8,11-14,19-22H,5-6,9-10,15H2,1H3
InChIKey
IUUCBDVFJIKBEQ-UHFFFAOYSA-N
Compound name
4-(4-methoxyphenyl)-2-phenyl-3,4,4a,5,6,7,8,8a-octahydro-2H-chromene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

322.19327 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.20055 179.4
[M+Na]+ 345.18249 194.7
[M+NH4]+ 340.22709 189.8
[M+K]+ 361.15643 184.9
[M-H]- 321.18599 188.9
[M+Na-2H]- 343.16794 188.0
[M]+ 322.19272 184.6
[M]- 322.19382 184.6
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.