CID 13452182

Brn 6075716

Structural Information

Molecular Formula
C22H27N3O2
SMILES
CN1CC(C2=C(C1)C(=CC=C2)NC(=O)CN3CCOCC3)C4=CC=CC=C4
InChI
InChI=1S/C22H27N3O2/c1-24-14-19(17-6-3-2-4-7-17)18-8-5-9-21(20(18)15-24)23-22(26)16-25-10-12-27-13-11-25/h2-9,19H,10-16H2,1H3,(H,23,26)
InChIKey
KVHAHYYHXQXIFY-UHFFFAOYSA-N
Compound name
N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-morpholin-4-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

365.21033 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.21761 190.2
[M+Na]+ 388.19955 192.6
[M-H]- 364.20305 196.5
[M+NH4]+ 383.24415 197.9
[M+K]+ 404.17349 188.1
[M+H-H2O]+ 348.20759 178.0
[M+HCOO]- 410.20853 202.4
[M+CH3COO]- 424.22418 197.2
[M+Na-2H]- 386.18500 192.1
[M]+ 365.20978 184.1
[M]- 365.21088 184.1
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

patents stripe