CID 3067138

3-phenoxybenzyl 2-(2-naphthyl)-2-methylpropyl ether

Structural Information

Molecular Formula
C27H26O2
SMILES
CC(C)(COCC1=CC(=CC=C1)OC2=CC=CC=C2)C3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C27H26O2/c1-27(2,24-16-15-22-10-6-7-11-23(22)18-24)20-28-19-21-9-8-14-26(17-21)29-25-12-4-3-5-13-25/h3-18H,19-20H2,1-2H3
InChIKey
NKPGRZLYCVNWQG-UHFFFAOYSA-N
Compound name
2-[2-methyl-1-[(3-phenoxyphenyl)methoxy]propan-2-yl]naphthalene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

382.19327 Da
Monoisotopic Mass

8.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 383.20055 197.1
[M+Na]+ 405.18249 202.5
[M-H]- 381.18599 206.5
[M+NH4]+ 400.22709 208.7
[M+K]+ 421.15643 196.2
[M+H-H2O]+ 365.19053 186.3
[M+HCOO]- 427.19147 216.3
[M+CH3COO]- 441.20712 206.3
[M+Na-2H]- 403.16794 202.4
[M]+ 382.19272 199.0
[M]- 382.19382 199.0
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