CID 323302

10354-32-2

Structural Information

Molecular Formula
C21H27NO6
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CC(=C(C=C2)OC)OC)C(=O)OCC)C)C
InChI
InChI=1S/C21H27NO6/c1-7-27-20(23)17-12(3)22-13(4)18(21(24)28-8-2)19(17)14-9-10-15(25-5)16(11-14)26-6/h9-11,19,22H,7-8H2,1-6H3
InChIKey
GIYFJYMMDKPPIX-UHFFFAOYSA-N
Compound name
diethyl 4-(3,4-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

1
Patents

389.18384 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.19112 191.6
[M+Na]+ 412.17306 198.5
[M-H]- 388.17656 196.0
[M+NH4]+ 407.21766 201.6
[M+K]+ 428.14700 196.3
[M+H-H2O]+ 372.18110 182.8
[M+HCOO]- 434.18204 208.8
[M+CH3COO]- 448.19769 222.3
[M+Na-2H]- 410.15851 188.5
[M]+ 389.18329 198.7
[M]- 389.18439 198.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe