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]+ 366.181226 187.2
[M+Na]+ 388.163168 189.7
[M-H]- 364.166674 192.4
[M+NH4]+ 383.207773 194.1
[M+K]+ 404.137108 184.8
[M+H-H2O]+ 348.171210 175.5
[M+HCOO]- 410.172151 198.6
[M+CH3COO]- 424.187801 193.9
[M+Na-2H]- 386.148616 189.5
[M]+ 365.17340142 179.9
[M]- 365.17449858 179.9
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.