CID 10475789

Fce 24265

Structural Information

Molecular Formula
C22H25N3O4
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)N3C=CN=C3)C(=O)OCC)C)C
InChI
InChI=1S/C22H25N3O4/c1-5-28-21(26)18-14(3)24-15(4)19(22(27)29-6-2)20(18)16-7-9-17(10-8-16)25-12-11-23-13-25/h7-13,20,24H,5-6H2,1-4H3
InChIKey
YQKJDJKRFKYJSQ-UHFFFAOYSA-N
Compound name
diethyl 4-(4-imidazol-1-ylphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

27
Patents

395.1845 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.19178 197.0
[M+Na]+ 418.17372 209.3
[M+NH4]+ 413.21832 201.1
[M+K]+ 434.14766 205.6
[M-H]- 394.17722 199.0
[M+Na-2H]- 416.15917 202.1
[M]+ 395.18395 199.0
[M]- 395.18505 199.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe