CID 45050955

853312-83-1

Structural Information

Molecular Formula
C23H24BrNO5
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=C(O2)C3=CC=CC=C3Br)C(=O)OCC)C)C
InChI
InChI=1S/C23H24BrNO5/c1-5-28-22(26)19-13(3)25-14(4)20(23(27)29-6-2)21(19)18-12-11-17(30-18)15-9-7-8-10-16(15)24/h7-12,21,25H,5-6H2,1-4H3
InChIKey
YCYJEQGVIGFSNF-UHFFFAOYSA-N
Compound name
diethyl 4-[5-(2-bromophenyl)furan-2-yl]-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

473.0838 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 474.09108 207.0
[M+Na]+ 496.07302 216.4
[M-H]- 472.07652 217.4
[M+NH4]+ 491.11762 217.7
[M+K]+ 512.04696 206.0
[M+H-H2O]+ 456.08106 204.5
[M+HCOO]- 518.08200 222.1
[M+CH3COO]- 532.09765 229.0
[M+Na-2H]- 494.05847 203.9
[M]+ 473.08325 230.0
[M]- 473.08435 230.0
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.