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]+ 364.20195 187.5
[M+Na]+ 386.18389 189.5
[M-H]- 362.18739 191.9
[M+NH4]+ 381.22849 195.9
[M+K]+ 402.15783 182.8
[M+H-H2O]+ 346.19193 175.9
[M+HCOO]- 408.19287 199.4
[M+CH3COO]- 422.20852 193.9
[M+Na-2H]- 384.16934 188.8
[M]+ 363.19412 178.5
[M]- 363.19522 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.