CID 3069486

84761-75-1

Structural Information

Molecular Formula
C20H23F2NO6S
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2S(=O)(=O)C(F)F)C(=O)OCC)C)C
InChI
InChI=1S/C20H23F2NO6S/c1-5-28-18(24)15-11(3)23-12(4)16(19(25)29-6-2)17(15)13-9-7-8-10-14(13)30(26,27)20(21)22/h7-10,17,20,23H,5-6H2,1-4H3
InChIKey
VPODHCPLXLSTOD-UHFFFAOYSA-N
Compound name
diethyl 4-[2-(difluoromethylsulfonyl)phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

443.12143 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 444.12871 197.2
[M+Na]+ 466.11065 203.6
[M-H]- 442.11415 198.5
[M+NH4]+ 461.15525 204.8
[M+K]+ 482.08459 199.5
[M+H-H2O]+ 426.11869 187.5
[M+HCOO]- 488.11963 205.3
[M+CH3COO]- 502.13528 226.7
[M+Na-2H]- 464.09610 192.6
[M]+ 443.12088 201.0
[M]- 443.12198 201.0
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.