CID 13986683

117210-76-1

Structural Information

Molecular Formula
C22H23NO6
SMILES
CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CC=C(O2)C3=CC=C(C=C3)OC)C(=O)OC
InChI
InChI=1S/C22H23NO6/c1-12-18(21(24)27-4)20(19(13(2)23-12)22(25)28-5)17-11-10-16(29-17)14-6-8-15(26-3)9-7-14/h6-11,20,23H,1-5H3
InChIKey
BXZSVYYLBVGIQR-UHFFFAOYSA-N
Compound name
dimethyl 4-[5-(4-methoxyphenyl)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

397.15253 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 398.15981 193.5
[M+Na]+ 420.14175 201.1
[M-H]- 396.14525 202.4
[M+NH4]+ 415.18635 203.2
[M+K]+ 436.11569 199.2
[M+H-H2O]+ 380.14979 184.9
[M+HCOO]- 442.15073 211.6
[M+CH3COO]- 456.16638 221.4
[M+Na-2H]- 418.12720 190.3
[M]+ 397.15198 199.6
[M]- 397.15308 199.6
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.