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]+ 346.155016 185.1
[M+Na]+ 368.136958 196.0
[M-H]- 344.140464 189.2
[M+NH4]+ 363.181563 192.6
[M+K]+ 384.110898 188.7
[M+H-H2O]+ 328.145000 167.5
[M+HCOO]- 390.145941 194.5
[M+CH3COO]- 404.161591 190.6
[M+Na-2H]- 366.122406 182.5
[M]+ 345.14719142 177.9
[M]- 345.14828858 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.