CID 217744

39562-00-0

Structural Information

Molecular Formula
C23H29NO7
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=C(C(=C(C=C2)OC)OC)OC)C(=O)OCC=C)C)C
InChI
InChI=1S/C23H29NO7/c1-8-12-31-23(26)18-14(4)24-13(3)17(22(25)30-9-2)19(18)15-10-11-16(27-5)21(29-7)20(15)28-6/h8,10-11,19,24H,1,9,12H2,2-7H3
InChIKey
DIQKZLKEQDIIQX-UHFFFAOYSA-N
Compound name
3-O-ethyl 5-O-prop-2-enyl 2,6-dimethyl-4-(2,3,4-trimethoxyphenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

431.1944 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 432.20168 200.8
[M+Na]+ 454.18362 207.7
[M-H]- 430.18712 205.1
[M+NH4]+ 449.22822 209.1
[M+K]+ 470.15756 205.4
[M+H-H2O]+ 414.19166 191.7
[M+HCOO]- 476.19260 217.6
[M+CH3COO]- 490.20825 231.0
[M+Na-2H]- 452.16907 196.3
[M]+ 431.19385 209.7
[M]- 431.19495 209.7
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