CID 85805953

393541-28-1

Structural Information

Molecular Formula
C21H21NO
SMILES
C1=CC=C(C=C1)COC2=CC=CC=C2CCCC3=CC=CC=N3
InChI
InChI=1S/C21H21NO/c1-2-9-18(10-3-1)17-23-21-15-5-4-11-19(21)12-8-14-20-13-6-7-16-22-20/h1-7,9-11,13,15-16H,8,12,14,17H2
InChIKey
NPCCFIFMOKCSRI-UHFFFAOYSA-N
Compound name
2-[3-(2-phenylmethoxyphenyl)propyl]pyridine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

303.16232 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 304.16960 175.4
[M+Na]+ 326.15154 192.6
[M+NH4]+ 321.19614 184.7
[M+K]+ 342.12548 181.5
[M-H]- 302.15504 182.8
[M+Na-2H]- 324.13699 188.2
[M]+ 303.16177 180.3
[M]- 303.16287 180.3
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

No patent data available for this compound.