CID 454398

143707-96-4

Structural Information

Molecular Formula
C17H19N3O
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=CNC3=CC=CC=C32)C
InChI
InChI=1S/C17H19N3O/c1-3-12-8-16(17(21)20-11(12)2)19-10-13-9-18-15-7-5-4-6-14(13)15/h4-9,18-19H,3,10H2,1-2H3,(H,20,21)
InChIKey
IVYXCNFPTFUCEQ-UHFFFAOYSA-N
Compound name
5-ethyl-3-(1H-indol-3-ylmethylamino)-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

281.1528 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.16008 165.5
[M+Na]+ 304.14202 175.4
[M-H]- 280.14552 168.9
[M+NH4]+ 299.18662 180.5
[M+K]+ 320.11596 167.8
[M+H-H2O]+ 264.15006 157.3
[M+HCOO]- 326.15100 186.7
[M+CH3COO]- 340.16665 176.8
[M+Na-2H]- 302.12747 170.1
[M]+ 281.15225 165.7
[M]- 281.15335 165.7
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

No patent data available for this compound.