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

No literature data available for this compound.

Patent stripe

patents stripe