CID 3052875

6,7-diethoxy-1-(3',4'-diisopropoxybenzyl)-1,2,3,4-tetrahydroisoquinoline hydrochloride

Structural Information

Molecular Formula
C26H37NO4
SMILES
CCOC1=C(C=C2C(NCCC2=C1)CC3=CC(=C(C=C3)OC(C)C)OC(C)C)OCC
InChI
InChI=1S/C26H37NO4/c1-7-28-24-15-20-11-12-27-22(21(20)16-25(24)29-8-2)13-19-9-10-23(30-17(3)4)26(14-19)31-18(5)6/h9-10,14-18,22,27H,7-8,11-13H2,1-6H3
InChIKey
ZNIHJSZFPOGWMJ-UHFFFAOYSA-N
Compound name
1-[[3,4-di(propan-2-yloxy)phenyl]methyl]-6,7-diethoxy-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

427.27225 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 428.27953 209.4
[M+Na]+ 450.26147 212.8
[M-H]- 426.26497 212.8
[M+NH4]+ 445.30607 218.2
[M+K]+ 466.23541 208.9
[M+H-H2O]+ 410.26951 199.3
[M+HCOO]- 472.27045 222.1
[M+CH3COO]- 486.28610 232.0
[M+Na-2H]- 448.24692 206.0
[M]+ 427.27170 213.4
[M]- 427.27280 213.4
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

patents stripe