CID 217748

39562-67-9

Structural Information

Molecular Formula
C19H20FNO4
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CC=CC=C2F)C(=O)OC
InChI
InChI=1S/C19H20FNO4/c1-5-10-25-19(23)16-12(3)21-11(2)15(18(22)24-4)17(16)13-8-6-7-9-14(13)20/h5-9,17,21H,1,10H2,2-4H3
InChIKey
MUMTTZTWVFEGKP-UHFFFAOYSA-N
Compound name
3-O-methyl 5-O-prop-2-enyl 4-(2-fluorophenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

345.13763 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.14491 179.5
[M+Na]+ 368.12685 187.2
[M-H]- 344.13035 182.5
[M+NH4]+ 363.17145 191.1
[M+K]+ 384.10079 182.7
[M+H-H2O]+ 328.13489 170.4
[M+HCOO]- 390.13583 196.2
[M+CH3COO]- 404.15148 212.5
[M+Na-2H]- 366.11230 177.2
[M]+ 345.13708 180.8
[M]- 345.13818 180.8
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

patents stripe