CID 2758031

3,4-dibenzyloxyphenylacetonitrile

Structural Information

Molecular Formula
C22H19NO2
SMILES
C1=CC=C(C=C1)COC2=C(C=C(C=C2)CC#N)OCC3=CC=CC=C3
InChI
InChI=1S/C22H19NO2/c23-14-13-18-11-12-21(24-16-19-7-3-1-4-8-19)22(15-18)25-17-20-9-5-2-6-10-20/h1-12,15H,13,16-17H2
InChIKey
JVNGVPICFBYTGS-UHFFFAOYSA-N
Compound name
2-[3,4-bis(phenylmethoxy)phenyl]acetonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

88
Patents

329.14157 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.14885 182.9
[M+Na]+ 352.13079 198.5
[M+NH4]+ 347.17539 188.2
[M+K]+ 368.10473 185.2
[M-H]- 328.13429 182.4
[M+Na-2H]- 350.11624 191.2
[M]+ 329.14102 184.5
[M]- 329.14212 184.5
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