CID 3038897

Brn 0463424

Structural Information

Molecular Formula
C27H30N2O3
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2CCN(C3)CCCC4=CC=CC=C4)OC
InChI
InChI=1S/C27H30N2O3/c1-31-25-14-13-21(18-26(25)32-2)27(30)28-24-12-6-11-22-19-29(17-15-23(22)24)16-7-10-20-8-4-3-5-9-20/h3-6,8-9,11-14,18H,7,10,15-17,19H2,1-2H3,(H,28,30)
InChIKey
LVSWTCFPCSMUIK-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-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

430.22565 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.23293 208.9
[M+Na]+ 453.21487 223.4
[M+NH4]+ 448.25947 216.2
[M+K]+ 469.18881 213.7
[M-H]- 429.21837 216.0
[M+Na-2H]- 451.20032 217.4
[M]+ 430.22510 213.1
[M]- 430.22620 213.1
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.