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]+ 387.20671 195.0
[M+Na]+ 409.18865 198.8
[M-H]- 385.19215 202.7
[M+NH4]+ 404.23325 204.8
[M+K]+ 425.16259 192.5
[M+H-H2O]+ 369.19669 183.3
[M+HCOO]- 431.19763 212.7
[M+CH3COO]- 445.21328 203.0
[M+Na-2H]- 407.17410 197.9
[M]+ 386.19888 193.0
[M]- 386.19998 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.