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]+ 346.144906 179.5
[M+Na]+ 368.126848 187.2
[M-H]- 344.130354 182.5
[M+NH4]+ 363.171453 191.1
[M+K]+ 384.100788 182.7
[M+H-H2O]+ 328.134890 170.4
[M+HCOO]- 390.135831 196.2
[M+CH3COO]- 404.151481 212.5
[M+Na-2H]- 366.112296 177.2
[M]+ 345.13708142 180.8
[M]- 345.13817858 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