CID 3038889

Brn 0448049

Structural Information

Molecular Formula
C24H24N2O2
SMILES
COC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2CCN(C3)CC4=CC=CC=C4
InChI
InChI=1S/C24H24N2O2/c1-28-21-12-10-19(11-13-21)24(27)25-23-9-5-8-20-17-26(15-14-22(20)23)16-18-6-3-2-4-7-18/h2-13H,14-17H2,1H3,(H,25,27)
InChIKey
DKZMMQVHALFZNO-UHFFFAOYSA-N
Compound name
N-(2-benzyl-3,4-dihydro-1H-isoquinolin-5-yl)-4-methoxybenzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.18378 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.191056 190.6
[M+Na]+ 395.172998 194.9
[M-H]- 371.176504 198.5
[M+NH4]+ 390.217603 200.9
[M+K]+ 411.146938 188.8
[M+H-H2O]+ 355.181040 179.1
[M+HCOO]- 417.181981 208.7
[M+CH3COO]- 431.197631 199.0
[M+Na-2H]- 393.158446 194.0
[M]+ 372.18323142 188.3
[M]- 372.18432858 188.3
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.