CID 4439768

Diethyl 4-(1h-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate

Structural Information

Molecular Formula
C21H24N2O4
SMILES
CCOC(=O)C1=C(NC(=C(C1C2=CNC3=CC=CC=C32)C(=O)OCC)C)C
InChI
InChI=1S/C21H24N2O4/c1-5-26-20(24)17-12(3)23-13(4)18(21(25)27-6-2)19(17)15-11-22-16-10-8-7-9-14(15)16/h7-11,19,22-23H,5-6H2,1-4H3
InChIKey
ACQOEBUOOOLHHQ-UHFFFAOYSA-N
Compound name
diethyl 4-(1H-indol-3-yl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

368.1736 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 369.18088 189.5
[M+Na]+ 391.16282 197.3
[M-H]- 367.16632 192.5
[M+NH4]+ 386.20742 200.9
[M+K]+ 407.13676 191.9
[M+H-H2O]+ 351.17086 181.1
[M+HCOO]- 413.17180 205.4
[M+CH3COO]- 427.18745 214.2
[M+Na-2H]- 389.14827 187.6
[M]+ 368.17305 192.7
[M]- 368.17415 192.7
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