CID 45455

Beta-naphthylethyl ether

Structural Information

Molecular Formula
C24H22O
SMILES
C1=CC=C2C=C(C=CC2=C1)CCOCCC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C24H22O/c1-3-7-23-17-19(9-11-21(23)5-1)13-15-25-16-14-20-10-12-22-6-2-4-8-24(22)18-20/h1-12,17-18H,13-16H2
InChIKey
UAQFADWTDBIBBZ-UHFFFAOYSA-N
Compound name
2-[2-(2-naphthalen-2-ylethoxy)ethyl]naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1553
Patents

326.16705 Da
Monoisotopic Mass

6.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 327.17433 180.0
[M+Na]+ 349.15627 199.1
[M+NH4]+ 344.20087 191.1
[M+K]+ 365.13021 186.4
[M-H]- 325.15977 188.1
[M+Na-2H]- 347.14172 191.8
[M]+ 326.16650 185.6
[M]- 326.16760 185.6
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