CID 486867

Chembl181747

Structural Information

Molecular Formula
C20H25N3O
SMILES
CCC1=C(NC(=O)C(=C1CC2=CN(C3=CC=CC=C32)C)N(C)C)C
InChI
InChI=1S/C20H25N3O/c1-6-15-13(2)21-20(24)19(22(3)4)17(15)11-14-12-23(5)18-10-8-7-9-16(14)18/h7-10,12H,6,11H2,1-5H3,(H,21,24)
InChIKey
NPZCVLAGGQPHDT-UHFFFAOYSA-N
Compound name
3-(dimethylamino)-5-ethyl-6-methyl-4-[(1-methylindol-3-yl)methyl]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

323.19977 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.207046 179.9
[M+Na]+ 346.188988 190.7
[M-H]- 322.192494 186.3
[M+NH4]+ 341.233593 195.0
[M+K]+ 362.162928 184.7
[M+H-H2O]+ 306.197030 171.1
[M+HCOO]- 368.197971 201.8
[M+CH3COO]- 382.213621 216.7
[M+Na-2H]- 344.174436 180.9
[M]+ 323.19922142 184.8
[M]- 323.20031858 184.8
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

No patent data available for this compound.