CID 3038891

Brn 0454808

Structural Information

Molecular Formula
C25H26N2O2
SMILES
COC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2CCN(C3)CCC4=CC=CC=C4
InChI
InChI=1S/C25H26N2O2/c1-29-22-12-10-20(11-13-22)25(28)26-24-9-5-8-21-18-27(17-15-23(21)24)16-14-19-6-3-2-4-7-19/h2-13H,14-18H2,1H3,(H,26,28)
InChIKey
ZESOEVRFSBEXPF-UHFFFAOYSA-N
Compound name
4-methoxy-N-[2-(2-phenylethyl)-3,4-dihydro-1H-isoquinolin-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

386.19943 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 387.206706 195.0
[M+Na]+ 409.188648 198.8
[M-H]- 385.192154 202.7
[M+NH4]+ 404.233253 204.8
[M+K]+ 425.162588 192.5
[M+H-H2O]+ 369.196690 183.3
[M+HCOO]- 431.197631 212.7
[M+CH3COO]- 445.213281 203.0
[M+Na-2H]- 407.174096 197.9
[M]+ 386.19888142 193.0
[M]- 386.19997858 193.0
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.