CID 495992

[1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1h-isoquinolin-7-yl]oxy-trimethoxy-methyl-[?]ol

Structural Information

Molecular Formula
C38H42N2O7
SMILES
CN1CCC2=CC(=C(C=C2C1CC3=CC=C(C=C3)O)OC4=C5CC6C7=CC(=C(C=C7CC(C5=CC(=C4OC)OC)N6C)OC)O)OC
InChI
InChI=1S/C38H42N2O7/c1-39-12-11-22-15-34(44-4)35(19-26(22)29(39)13-21-7-9-24(41)10-8-21)47-37-28-17-31-25-18-32(42)33(43-3)16-23(25)14-30(40(31)2)27(28)20-36(45-5)38(37)46-6/h7-10,15-16,18-20,29-31,41-42H,11-14,17H2,1-6H3
InChIKey
WQYVZFLXYIOFCT-UHFFFAOYSA-N
Compound name
14-[[1-[(4-hydroxyphenyl)methyl]-6-methoxy-2-methyl-3,4-dihydro-1H-isoquinolin-7-yl]oxy]-5,12,13-trimethoxy-17-methyl-17-azatetracyclo[7.7.1.02,7.010,15]heptadeca-2,4,6,10,12,14-hexaen-4-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

638.2992 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 639.30648 263.1
[M+Na]+ 661.28842 266.5
[M-H]- 637.29192 267.6
[M+NH4]+ 656.33302 263.3
[M+K]+ 677.26236 262.3
[M+H-H2O]+ 621.29646 246.7
[M+HCOO]- 683.29740 264.2
[M+CH3COO]- 697.31305 264.4
[M+Na-2H]- 659.27387 258.8
[M]+ 638.29865 267.2
[M]- 638.29975 267.2
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.