CID 45511

63937-74-6

Structural Information

Molecular Formula
C25H35ClN2O2
SMILES
CCN(CC)CCN1CCC2=CC(=C(C=C2C1CCC3=CC=C(C=C3)Cl)OC)OC
InChI
InChI=1S/C25H35ClN2O2/c1-5-27(6-2)15-16-28-14-13-20-17-24(29-3)25(30-4)18-22(20)23(28)12-9-19-7-10-21(26)11-8-19/h7-8,10-11,17-18,23H,5-6,9,12-16H2,1-4H3
InChIKey
MMXWDUXYZTZAFM-UHFFFAOYSA-N
Compound name
2-[1-[2-(4-chlorophenyl)ethyl]-6,7-dimethoxy-3,4-dihydro-1H-isoquinolin-2-yl]-N,N-diethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

430.2387 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 431.24598 209.6
[M+Na]+ 453.22792 214.9
[M-H]- 429.23142 215.5
[M+NH4]+ 448.27252 220.6
[M+K]+ 469.20186 209.1
[M+H-H2O]+ 413.23596 199.3
[M+HCOO]- 475.23690 222.8
[M+CH3COO]- 489.25255 237.2
[M+Na-2H]- 451.21337 208.4
[M]+ 430.23815 216.2
[M]- 430.23925 216.2
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.