CID 45051003

665-370-3

Structural Information

Molecular Formula
C24H24FNO5
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC(=CC=C2)OCC3=CC=C(C=C3)F)C(=O)OC
InChI
InChI=1S/C24H24FNO5/c1-14-20(23(27)29-3)22(21(15(2)26-14)24(28)30-4)17-6-5-7-19(12-17)31-13-16-8-10-18(25)11-9-16/h5-12,22,26H,13H2,1-4H3
InChIKey
QSPDPPXVCQCDHT-UHFFFAOYSA-N
Compound name
dimethyl 4-[3-[(4-fluorophenyl)methoxy]phenyl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

425.16385 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.17113 201.8
[M+Na]+ 448.15307 208.6
[M-H]- 424.15657 207.8
[M+NH4]+ 443.19767 209.5
[M+K]+ 464.12701 204.2
[M+H-H2O]+ 408.16111 190.4
[M+HCOO]- 470.16205 217.8
[M+CH3COO]- 484.17770 227.6
[M+Na-2H]- 446.13852 198.5
[M]+ 425.16330 204.4
[M]- 425.16440 204.4
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.