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

397
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 174.5
[M+Na]+ 325.18865 176.9
[M-H]- 301.19215 175.5
[M+NH4]+ 320.23325 186.2
[M+K]+ 341.16259 171.6
[M+H-H2O]+ 285.19669 164.3
[M+HCOO]- 347.19763 186.3
[M+CH3COO]- 361.21328 201.9
[M+Na-2H]- 323.17410 176.5
[M]+ 302.19888 168.3
[M]- 302.19998 168.3
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