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 187.9
[M+Na]+ 383.13662 198.5
[M-H]- 359.14012 194.2
[M+NH4]+ 378.18122 197.6
[M+K]+ 399.11056 191.7
[M+H-H2O]+ 343.14466 170.9
[M+HCOO]- 405.14560 205.9
[M+CH3COO]- 419.16125 225.9
[M+Na-2H]- 381.12207 189.6
[M]+ 360.14685 187.2
[M]- 360.14795 187.2
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.