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]+ 401.22238 199.5
[M+Na]+ 423.20432 202.8
[M-H]- 399.20782 206.9
[M+NH4]+ 418.24892 208.6
[M+K]+ 439.17826 196.3
[M+H-H2O]+ 383.21236 187.4
[M+HCOO]- 445.21330 216.7
[M+CH3COO]- 459.22895 206.9
[M+Na-2H]- 421.18977 201.7
[M]+ 400.21455 197.7
[M]- 400.21565 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.