CID 3054359

71160-09-3

Structural Information

Molecular Formula
C18H20F3NO5
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(O2)C(F)(F)F)C(=O)OCC)C)C
InChI
InChI=1S/C18H20F3NO5/c1-5-25-16(23)13-9(3)22-10(4)14(17(24)26-6-2)15(13)11-7-8-12(27-11)18(19,20)21/h7-8,15,22H,5-6H2,1-4H3
InChIKey
SVOLFSZYJYCGEQ-UHFFFAOYSA-N
Compound name
diethyl 2,6-dimethyl-4-[5-(trifluoromethyl)furan-2-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

387.12936 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 388.13664 186.7
[M+Na]+ 410.11858 194.8
[M-H]- 386.12208 188.2
[M+NH4]+ 405.16318 197.3
[M+K]+ 426.09252 192.5
[M+H-H2O]+ 370.12662 177.4
[M+HCOO]- 432.12756 199.9
[M+CH3COO]- 446.14321 217.6
[M+Na-2H]- 408.10403 183.5
[M]+ 387.12881 188.2
[M]- 387.12991 188.2
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.