CID 680274

58395-00-9

Structural Information

Molecular Formula
C19H22FNO4
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(C=C2)F)C(=O)OCC)C)C
InChI
InChI=1S/C19H22FNO4/c1-5-24-18(22)15-11(3)21-12(4)16(19(23)25-6-2)17(15)13-7-9-14(20)10-8-13/h7-10,17,21H,5-6H2,1-4H3
InChIKey
AITJZYHNAKUCFP-UHFFFAOYSA-N
Compound name
diethyl 4-(4-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

32
Patents

347.1533 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.16058 181.0
[M+Na]+ 370.14252 188.4
[M-H]- 346.14602 184.0
[M+NH4]+ 365.18712 192.7
[M+K]+ 386.11646 184.6
[M+H-H2O]+ 330.15056 171.8
[M+HCOO]- 392.15150 197.6
[M+CH3COO]- 406.16715 213.3
[M+Na-2H]- 368.12797 178.7
[M]+ 347.15275 183.0
[M]- 347.15385 183.0
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