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

46
Patents

242.1419 Da
Monoisotopic Mass

0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.14918 156.9
[M+Na]+ 265.13112 162.0
[M-H]- 241.13462 159.0
[M+NH4]+ 260.17572 171.4
[M+K]+ 281.10506 156.5
[M+H-H2O]+ 225.13916 147.6
[M+HCOO]- 287.14010 171.1
[M+CH3COO]- 301.15575 166.5
[M+Na-2H]- 263.11657 161.5
[M]+ 242.14135 149.8
[M]- 242.14245 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