CID 217745

Ethyl prop-2-en-1-yl 2,6-dimethyl-4-(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C21H25NO4
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC=CC=C2C)C(=O)OCC=C)C)C
InChI
InChI=1S/C21H25NO4/c1-6-12-26-21(24)18-15(5)22-14(4)17(20(23)25-7-2)19(18)16-11-9-8-10-13(16)3/h6,8-11,19,22H,1,7,12H2,2-5H3
InChIKey
MCZNMUAPWJIZET-UHFFFAOYSA-N
Compound name
3-O-ethyl 5-O-prop-2-enyl 2,6-dimethyl-4-(2-methylphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

355.17834 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.185616 185.3
[M+Na]+ 378.167558 192.1
[M-H]- 354.171064 189.3
[M+NH4]+ 373.212163 196.6
[M+K]+ 394.141498 187.7
[M+H-H2O]+ 338.175600 176.8
[M+HCOO]- 400.176541 202.4
[M+CH3COO]- 414.192191 215.8
[M+Na-2H]- 376.153006 182.6
[M]+ 355.17779142 188.3
[M]- 355.17888858 188.3
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

patents stripe