CID 16228926

6-benzyl-1,2,3,4,5,6,7,8-octahydro-1,6-naphthyridin-2-one

Structural Information

Molecular Formula
C15H18N2O
SMILES
C1CC(=O)NC2=C1CN(CC2)CC3=CC=CC=C3
InChI
InChI=1S/C15H18N2O/c18-15-7-6-13-11-17(9-8-14(13)16-15)10-12-4-2-1-3-5-12/h1-5H,6-11H2,(H,16,18)
InChIKey
SZWKETFREPZUDD-UHFFFAOYSA-N
Compound name
6-benzyl-1,3,4,5,7,8-hexahydro-1,6-naphthyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

45
Patents

242.1419 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.149176 156.9
[M+Na]+ 265.131118 162.0
[M-H]- 241.134624 159.0
[M+NH4]+ 260.175723 171.4
[M+K]+ 281.105058 156.5
[M+H-H2O]+ 225.139160 147.6
[M+HCOO]- 287.140101 171.1
[M+CH3COO]- 301.155751 166.5
[M+Na-2H]- 263.116566 161.5
[M]+ 242.14135142 149.8
[M]- 242.14244858 149.8
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

patents stripe