CID 217745

39562-63-5

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]+ 356.18562 187.0
[M+Na]+ 378.16756 199.2
[M+NH4]+ 373.21216 191.8
[M+K]+ 394.14150 193.1
[M-H]- 354.17106 188.4
[M+Na-2H]- 376.15301 190.9
[M]+ 355.17779 188.9
[M]- 355.17889 188.9
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