CID 24880244

932033-57-3

Structural Information

Molecular Formula
C34H42O2
SMILES
COC1=C(C=C(C=C1)C2=CC(=C(C=C2)OC)C34CC5CC(C3)CC(C5)C4)C67CC8CC(C6)CC(C8)C7
InChI
InChI=1S/C34H42O2/c1-35-31-5-3-27(13-29(31)33-15-21-7-22(16-33)9-23(8-21)17-33)28-4-6-32(36-2)30(14-28)34-18-24-10-25(19-34)12-26(11-24)20-34/h3-6,13-14,21-26H,7-12,15-20H2,1-2H3
InChIKey
SDMSVURKQNRAEU-UHFFFAOYSA-N
Compound name
1-[5-[3-(1-adamantyl)-4-methoxyphenyl]-2-methoxyphenyl]adamantane
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

17
Patents

482.31848 Da
Monoisotopic Mass

10.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 483.32576 194.9
[M+Na]+ 505.30770 186.1
[M-H]- 481.31120 188.6
[M+NH4]+ 500.35230 209.9
[M+K]+ 521.28164 179.1
[M+H-H2O]+ 465.31574 172.9
[M+HCOO]- 527.31668 181.9
[M+CH3COO]- 541.33233 192.8
[M+Na-2H]- 503.29315 197.7
[M]+ 482.31793 190.3
[M]- 482.31903 190.3
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