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

91
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 183.3
[M+Na]+ 352.13079 192.3
[M-H]- 328.13429 190.0
[M+NH4]+ 347.17539 194.8
[M+K]+ 368.10473 184.0
[M+H-H2O]+ 312.13883 167.2
[M+HCOO]- 374.13977 202.5
[M+CH3COO]- 388.15542 192.3
[M+Na-2H]- 350.11624 186.7
[M]+ 329.14102 180.0
[M]- 329.14212 180.0
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