CID 4341269

Diethyl 4-(3-(difluoromethoxy)ph)-2,6-dimethyl-1,4-2h-3,5-pyridinedicarboxylate

Structural Information

Molecular Formula
C20H23F2NO5
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC(=CC=C2)OC(F)F)C(=O)OCC)C)C
InChI
InChI=1S/C20H23F2NO5/c1-5-26-18(24)15-11(3)23-12(4)16(19(25)27-6-2)17(15)13-8-7-9-14(10-13)28-20(21)22/h7-10,17,20,23H,5-6H2,1-4H3
InChIKey
PJNQHSBGMPVOBI-UHFFFAOYSA-N
Compound name
diethyl 4-[3-(difluoromethoxy)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

395.15442 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 396.16170 191.0
[M+Na]+ 418.14364 197.4
[M-H]- 394.14714 192.3
[M+NH4]+ 413.18824 200.3
[M+K]+ 434.11758 194.2
[M+H-H2O]+ 378.15168 180.5
[M+HCOO]- 440.15262 205.2
[M+CH3COO]- 454.16827 222.0
[M+Na-2H]- 416.12909 186.4
[M]+ 395.15387 192.9
[M]- 395.15497 192.9
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.