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 187.2
[M+Na]+ 388.16317 189.7
[M-H]- 364.16667 192.4
[M+NH4]+ 383.20777 194.1
[M+K]+ 404.13711 184.8
[M+H-H2O]+ 348.17121 175.5
[M+HCOO]- 410.17215 198.6
[M+CH3COO]- 424.18780 193.9
[M+Na-2H]- 386.14862 189.5
[M]+ 365.17340 179.9
[M]- 365.17450 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.