CID 3038893

Brn 0463701

Structural Information

Molecular Formula
C27H30N2O3
SMILES
COC1=CC=C(C=C1)C(=O)NC2=CC=CC3=C2CCN(C3)CCCC4=CC=CC=C4OC
InChI
InChI=1S/C27H30N2O3/c1-31-23-14-12-21(13-15-23)27(30)28-25-10-5-8-22-19-29(18-16-24(22)25)17-6-9-20-7-3-4-11-26(20)32-2/h3-5,7-8,10-15H,6,9,16-19H2,1-2H3,(H,28,30)
InChIKey
OUXPKQARKVNHAK-UHFFFAOYSA-N
Compound name
4-methoxy-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

430.22565 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.23293 207.5
[M+Na]+ 453.21487 211.0
[M-H]- 429.21837 215.1
[M+NH4]+ 448.25947 215.5
[M+K]+ 469.18881 205.2
[M+H-H2O]+ 413.22291 195.2
[M+HCOO]- 475.22385 224.5
[M+CH3COO]- 489.23950 232.9
[M+Na-2H]- 451.20032 208.6
[M]+ 430.22510 207.9
[M]- 430.22620 207.9
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.