CID 3038896

Brn 0461047

Structural Information

Molecular Formula
C26H28N2O3
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2CCN(C3)CCC4=CC=CC=C4)OC
InChI
InChI=1S/C26H28N2O3/c1-30-24-12-11-20(17-25(24)31-2)26(29)27-23-10-6-9-21-18-28(16-14-22(21)23)15-13-19-7-4-3-5-8-19/h3-12,17H,13-16,18H2,1-2H3,(H,27,29)
InChIKey
INOCOTXEWBJWKF-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-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

416.21 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.21728 203.1
[M+Na]+ 439.19922 207.1
[M-H]- 415.20272 210.9
[M+NH4]+ 434.24382 211.7
[M+K]+ 455.17316 201.5
[M+H-H2O]+ 399.20726 191.0
[M+HCOO]- 461.20820 220.5
[M+CH3COO]- 475.22385 230.0
[M+Na-2H]- 437.18467 204.7
[M]+ 416.20945 203.2
[M]- 416.21055 203.2
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.