CID 3038892

Brn 0458727

Structural Information

Molecular Formula
C26H28N2O2
SMILES
COC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2CCN(C3)CCCC4=CC=CC=C4
InChI
InChI=1S/C26H28N2O2/c1-30-23-14-12-21(13-15-23)26(29)27-25-11-5-10-22-19-28(18-16-24(22)25)17-6-9-20-7-3-2-4-8-20/h2-5,7-8,10-15H,6,9,16-19H2,1H3,(H,27,29)
InChIKey
WEFLNJQZUQOATQ-UHFFFAOYSA-N
Compound name
4-methoxy-N-[2-(3-phenylpropyl)-3,4-dihydro-1H-isoquinolin-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

400.2151 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 401.222376 199.5
[M+Na]+ 423.204318 202.8
[M-H]- 399.207824 206.9
[M+NH4]+ 418.248923 208.6
[M+K]+ 439.178258 196.3
[M+H-H2O]+ 383.212360 187.4
[M+HCOO]- 445.213301 216.7
[M+CH3COO]- 459.228951 206.9
[M+Na-2H]- 421.189766 201.7
[M]+ 400.21455142 197.7
[M]- 400.21564858 197.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.