CID 979890

Oprea1_687378

Structural Information

Molecular Formula
C22H20N2O3
SMILES
CCOC1=C(C(=CC(=N1)C2=CC=C(C=C2)OC)C3=CC=C(C=C3)OC)C#N
InChI
InChI=1S/C22H20N2O3/c1-4-27-22-20(14-23)19(15-5-9-17(25-2)10-6-15)13-21(24-22)16-7-11-18(26-3)12-8-16/h5-13H,4H2,1-3H3
InChIKey
ATOJCHALHPVRIR-UHFFFAOYSA-N
Compound name
2-ethoxy-4,6-bis(4-methoxyphenyl)pyridine-3-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

360.1474 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 361.15468 186.8
[M+Na]+ 383.13662 202.7
[M+NH4]+ 378.18122 190.8
[M+K]+ 399.11056 190.7
[M-H]- 359.14012 185.3
[M+Na-2H]- 381.12207 193.8
[M]+ 360.14685 188.1
[M]- 360.14795 188.1
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.