CID 372095

Nsc646970

Structural Information

Molecular Formula
C19H24N2O
SMILES
CC(C)CC1=CC(=O)CN(C1)CCC2=CNC3=CC=CC=C32
InChI
InChI=1S/C19H24N2O/c1-14(2)9-15-10-17(22)13-21(12-15)8-7-16-11-20-19-6-4-3-5-18(16)19/h3-6,10-11,14,20H,7-9,12-13H2,1-2H3
InChIKey
CCPKXXMDEHBZNN-UHFFFAOYSA-N
Compound name
1-[2-(1H-indol-3-yl)ethyl]-5-(2-methylpropyl)-2,6-dihydropyridin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.18887 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.19615 173.2
[M+Na]+ 319.17809 180.1
[M-H]- 295.18159 176.4
[M+NH4]+ 314.22269 188.0
[M+K]+ 335.15203 173.9
[M+H-H2O]+ 279.18613 164.3
[M+HCOO]- 341.18707 190.2
[M+CH3COO]- 355.20272 183.2
[M+Na-2H]- 317.16354 173.9
[M]+ 296.18832 172.5
[M]- 296.18942 172.5
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.