CID 3041434

Brn 0498841

Structural Information

Molecular Formula
C22H25N3O2
SMILES
C1CCN(CC1)CC(=O)NC2=CC=C(C=C2)C3C4=CC=CC=C4CC(=O)N3
InChI
InChI=1S/C22H25N3O2/c26-20-14-17-6-2-3-7-19(17)22(24-20)16-8-10-18(11-9-16)23-21(27)15-25-12-4-1-5-13-25/h2-3,6-11,22H,1,4-5,12-15H2,(H,23,27)(H,24,26)
InChIKey
OQPREWHWFAHSRK-UHFFFAOYSA-N
Compound name
N-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

363.19467 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.201946 187.5
[M+Na]+ 386.183888 189.5
[M-H]- 362.187394 191.9
[M+NH4]+ 381.228493 195.9
[M+K]+ 402.157828 182.8
[M+H-H2O]+ 346.191930 175.9
[M+HCOO]- 408.192871 199.4
[M+CH3COO]- 422.208521 193.9
[M+Na-2H]- 384.169336 188.8
[M]+ 363.19412142 178.5
[M]- 363.19521858 178.5
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

No patent data available for this compound.