CID 9948349

129075-73-6

Structural Information

Molecular Formula
C18H26N2O2
SMILES
C1CCN(CC1)CCCCOC2=CC=CC3=C2CCNC3=O
InChI
InChI=1S/C18H26N2O2/c21-18-16-7-6-8-17(15(16)9-10-19-18)22-14-5-4-13-20-11-2-1-3-12-20/h6-8H,1-5,9-14H2,(H,19,21)
InChIKey
RVOUDNBEIXGHJY-UHFFFAOYSA-N
Compound name
5-(4-piperidin-1-ylbutoxy)-3,4-dihydro-2H-isoquinolin-1-one
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

55
References

395
Patents

302.19943 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.20671 175.9
[M+Na]+ 325.18865 187.2
[M+NH4]+ 320.23325 183.4
[M+K]+ 341.16259 179.0
[M-H]- 301.19215 178.7
[M+Na-2H]- 323.17410 180.4
[M]+ 302.19888 178.0
[M]- 302.19998 178.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe