CID 13452180

N-(2-methyl-4-phenyl-1,2,3,4-tetrahydro-8-isoquinolyl)-1-piperidineacetamide maleate (1:2)

Structural Information

Molecular Formula
C23H29N3O
SMILES
CN1CC(C2=C(C1)C(=CC=C2)NC(=O)CN3CCCCC3)C4=CC=CC=C4
InChI
InChI=1S/C23H29N3O/c1-25-15-20(18-9-4-2-5-10-18)19-11-8-12-22(21(19)16-25)24-23(27)17-26-13-6-3-7-14-26/h2,4-5,8-12,20H,3,6-7,13-17H2,1H3,(H,24,27)
InChIKey
XBYQSNVYDGQAQP-UHFFFAOYSA-N
Compound name
N-(2-methyl-4-phenyl-3,4-dihydro-1H-isoquinolin-8-yl)-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

363.23105 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 364.23833 190.4
[M+Na]+ 386.22027 192.2
[M-H]- 362.22377 195.8
[M+NH4]+ 381.26487 199.5
[M+K]+ 402.19421 185.8
[M+H-H2O]+ 346.22831 178.2
[M+HCOO]- 408.22925 203.0
[M+CH3COO]- 422.24490 197.0
[M+Na-2H]- 384.20572 191.3
[M]+ 363.23050 182.6
[M]- 363.23160 182.6
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