CID 3063341

Brn 5666301

Structural Information

Molecular Formula
C25H25F2NO6
SMILES
CC1=C(C(C(=C(N1C2=CC=C(C=C2)OC)C)C(=O)OC)C3=CC=CC=C3OC(F)F)C(=O)OC
InChI
InChI=1S/C25H25F2NO6/c1-14-20(23(29)32-4)22(18-8-6-7-9-19(18)34-25(26)27)21(24(30)33-5)15(2)28(14)16-10-12-17(31-3)13-11-16/h6-13,22,25H,1-5H3
InChIKey
VILZDKHHODLYSX-UHFFFAOYSA-N
Compound name
dimethyl 4-[2-(difluoromethoxy)phenyl]-1-(4-methoxyphenyl)-2,6-dimethyl-4H-pyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.165 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.17228 210.9
[M+Na]+ 496.15422 218.0
[M-H]- 472.15772 217.0
[M+NH4]+ 491.19882 217.3
[M+K]+ 512.12816 215.3
[M+H-H2O]+ 456.16226 198.2
[M+HCOO]- 518.16320 226.1
[M+CH3COO]- 532.17885 239.7
[M+Na-2H]- 494.13967 205.4
[M]+ 473.16445 215.9
[M]- 473.16555 215.9
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.