CID 10526466

106685-41-0

Structural Information

Molecular Formula
C29H30O3
SMILES
COC1=C(C=C(C=C1)C2=CC3=C(C=C2)C=C(C=C3)C(=O)OC)C45CC6CC(C4)CC(C6)C5
InChI
InChI=1S/C29H30O3/c1-31-27-8-7-24(14-26(27)29-15-18-9-19(16-29)11-20(10-18)17-29)22-3-4-23-13-25(28(30)32-2)6-5-21(23)12-22/h3-8,12-14,18-20H,9-11,15-17H2,1-2H3
InChIKey
PGXNMQBGOVUZNC-UHFFFAOYSA-N
Compound name
methyl 6-[3-(1-adamantyl)-4-methoxyphenyl]naphthalene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

67
Patents

426.21948 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.22676 199.4
[M+Na]+ 449.20870 199.7
[M-H]- 425.21220 200.6
[M+NH4]+ 444.25330 215.6
[M+K]+ 465.18264 194.2
[M+H-H2O]+ 409.21674 185.9
[M+HCOO]- 471.21768 202.0
[M+CH3COO]- 485.23333 204.0
[M+Na-2H]- 447.19415 204.8
[M]+ 426.21893 200.5
[M]- 426.22003 200.5
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