CID 3038898

Brn 0466399

Structural Information

Molecular Formula
C28H32N2O4
SMILES
COC1=C(C=C(C=C1)C(=O)NC2=CC=CC3=C2CCN(C3)CCCC4=CC=CC=C4OC)OC
InChI
InChI=1S/C28H32N2O4/c1-32-25-12-5-4-8-20(25)10-7-16-30-17-15-23-22(19-30)9-6-11-24(23)29-28(31)21-13-14-26(33-2)27(18-21)34-3/h4-6,8-9,11-14,18H,7,10,15-17,19H2,1-3H3,(H,29,31)
InChIKey
GQCVBBLPVMISKK-UHFFFAOYSA-N
Compound name
3,4-dimethoxy-N-[2-[3-(2-methoxyphenyl)propyl]-3,4-dihydro-1H-isoquinolin-5-yl]benzamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

460.2362 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 461.24348 216.3
[M+Na]+ 483.22542 230.5
[M+NH4]+ 478.27002 222.9
[M+K]+ 499.19936 221.3
[M-H]- 459.22892 222.9
[M+Na-2H]- 481.21087 223.9
[M]+ 460.23565 220.3
[M]- 460.23675 220.3
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.