CID 3041437

Brn 0499354

Structural Information

Molecular Formula
C23H27N3O2
SMILES
C1CCN(C1)CCCC(=O)NC2=CC=C(C=C2)C3C4=CC=CC=C4CC(=O)N3
InChI
InChI=1S/C23H27N3O2/c27-21(8-5-15-26-13-3-4-14-26)24-19-11-9-17(10-12-19)23-20-7-2-1-6-18(20)16-22(28)25-23/h1-2,6-7,9-12,23H,3-5,8,13-16H2,(H,24,27)(H,25,28)
InChIKey
XAOKDTXQXNZCQV-UHFFFAOYSA-N
Compound name
N-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]-4-pyrrolidin-1-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

377.21033 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 378.21761 194.3
[M+Na]+ 400.19955 205.1
[M+NH4]+ 395.24415 201.0
[M+K]+ 416.17349 199.1
[M-H]- 376.20305 198.9
[M+Na-2H]- 398.18500 199.7
[M]+ 377.20978 196.8
[M]- 377.21088 196.8
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.