CID 3023483

94088-47-8

Structural Information

Molecular Formula
C21H17NO2
SMILES
C1=CC=C(C=C1)COC2=C(C(=CC=C2)OCC3=CC=CC=C3)C#N
InChI
InChI=1S/C21H17NO2/c22-14-19-20(23-15-17-8-3-1-4-9-17)12-7-13-21(19)24-16-18-10-5-2-6-11-18/h1-13H,15-16H2
InChIKey
VMVKBYOKFOFDOD-UHFFFAOYSA-N
Compound name
2,6-bis(phenylmethoxy)benzonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

315.12592 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 316.13320 179.4
[M+Na]+ 338.11514 188.8
[M-H]- 314.11864 186.3
[M+NH4]+ 333.15974 191.4
[M+K]+ 354.08908 180.8
[M+H-H2O]+ 298.12318 163.5
[M+HCOO]- 360.12412 198.9
[M+CH3COO]- 374.13977 188.8
[M+Na-2H]- 336.10059 183.3
[M]+ 315.12537 175.8
[M]- 315.12647 175.8
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