CID 24208922

853312-17-1

Structural Information

Molecular Formula
C21H19N3O2
SMILES
CCOC1=CC=CC=C1C2=CC=C(O2)C3C(=C(NC(=C3C#N)C)C)C#N
InChI
InChI=1S/C21H19N3O2/c1-4-25-18-8-6-5-7-15(18)19-9-10-20(26-19)21-16(11-22)13(2)24-14(3)17(21)12-23/h5-10,21,24H,4H2,1-3H3
InChIKey
SMJFBFUQNNYGIE-UHFFFAOYSA-N
Compound name
4-[5-(2-ethoxyphenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.14774 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.15502 185.1
[M+Na]+ 368.13696 196.0
[M-H]- 344.14046 189.2
[M+NH4]+ 363.18156 192.6
[M+K]+ 384.11090 188.7
[M+H-H2O]+ 328.14500 167.5
[M+HCOO]- 390.14594 194.5
[M+CH3COO]- 404.16159 190.6
[M+Na-2H]- 366.12241 182.5
[M]+ 345.14719 177.9
[M]- 345.14829 177.9
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.