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]+ 324.20705 179.9
[M+Na]+ 346.18899 190.7
[M-H]- 322.19249 186.3
[M+NH4]+ 341.23359 195.0
[M+K]+ 362.16293 184.7
[M+H-H2O]+ 306.19703 171.1
[M+HCOO]- 368.19797 201.8
[M+CH3COO]- 382.21362 216.7
[M+Na-2H]- 344.17444 180.9
[M]+ 323.19922 184.8
[M]- 323.20032 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.