CID 3055531

72567-24-9

Structural Information

Molecular Formula
C21H24O
SMILES
C1CCC2C(C1)C(CC(O2)C3=CC=CC=C3)C4=CC=CC=C4
InChI
InChI=1S/C21H24O/c1-3-9-16(10-4-1)19-15-21(17-11-5-2-6-12-17)22-20-14-8-7-13-18(19)20/h1-6,9-12,18-21H,7-8,13-15H2
InChIKey
FNRDGIXMRRWBJV-UHFFFAOYSA-N
Compound name
2,4-diphenyl-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

292.1827 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.18998 169.8
[M+Na]+ 315.17192 172.8
[M-H]- 291.17542 178.9
[M+NH4]+ 310.21652 183.7
[M+K]+ 331.14586 168.5
[M+H-H2O]+ 275.17996 160.1
[M+HCOO]- 337.18090 184.8
[M+CH3COO]- 351.19655 179.3
[M+Na-2H]- 313.15737 173.4
[M]+ 292.18215 162.6
[M]- 292.18325 162.6
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

patents stripe