CID 3066562

Brn 5650082

Structural Information

Molecular Formula
C24H31F2NO5
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OCC(C)C)C2=CC=CC=C2OC(F)F)C(=O)OCC(C)C
InChI
InChI=1S/C24H31F2NO5/c1-13(2)11-30-22(28)19-15(5)27-16(6)20(23(29)31-12-14(3)4)21(19)17-9-7-8-10-18(17)32-24(25)26/h7-10,13-14,21,24,27H,11-12H2,1-6H3
InChIKey
ZBGSZKIIHJVPIT-UHFFFAOYSA-N
Compound name
bis(2-methylpropyl) 4-[2-(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

451.21704 Da
Monoisotopic Mass

5.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 452.22432 207.3
[M+Na]+ 474.20626 211.5
[M-H]- 450.20976 208.0
[M+NH4]+ 469.25086 214.1
[M+K]+ 490.18020 208.7
[M+H-H2O]+ 434.21430 196.6
[M+HCOO]- 496.21524 218.2
[M+CH3COO]- 510.23089 235.5
[M+Na-2H]- 472.19171 198.6
[M]+ 451.21649 209.5
[M]- 451.21759 209.5
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.