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 191.7
[M+Na]+ 400.19955 194.2
[M-H]- 376.20305 196.7
[M+NH4]+ 395.24415 201.6
[M+K]+ 416.17349 187.2
[M+H-H2O]+ 360.20759 180.9
[M+HCOO]- 422.20853 205.7
[M+CH3COO]- 436.22418 198.6
[M+Na-2H]- 398.18500 190.6
[M]+ 377.20978 185.4
[M]- 377.21088 185.4
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.