CID 3041428

Brn 1229601

Structural Information

Molecular Formula
C21H23N3O3
SMILES
C1COCCN1CC(=O)NC2=CC=C(C=C2)C3C4=CC=CC=C4CC(=O)N3
InChI
InChI=1S/C21H23N3O3/c25-19-13-16-3-1-2-4-18(16)21(23-19)15-5-7-17(8-6-15)22-20(26)14-24-9-11-27-12-10-24/h1-8,21H,9-14H2,(H,22,26)(H,23,25)
InChIKey
OTSARUBUYGSGMV-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-N-[4-(3-oxo-2,4-dihydro-1H-isoquinolin-1-yl)phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

365.17395 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.18123 188.9
[M+Na]+ 388.16317 201.2
[M+NH4]+ 383.20777 195.4
[M+K]+ 404.13711 194.2
[M-H]- 364.16667 195.2
[M+Na-2H]- 386.14862 194.8
[M]+ 365.17340 192.2
[M]- 365.17450 192.2
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.