CID 280249

19626-08-5

Structural Information

Molecular Formula
C24H32N2O4
SMILES
CC1C2=CC(=C(C=C2CCN1C)OC)OC3=C4C(N(CCC4=CC(=C3O)OC)C)C
InChI
InChI=1S/C24H32N2O4/c1-14-18-13-20(19(28-5)11-16(18)7-9-25(14)3)30-24-22-15(2)26(4)10-8-17(22)12-21(29-6)23(24)27/h11-15,27H,7-10H2,1-6H3
InChIKey
PWFLHIQSZMYWPN-UHFFFAOYSA-N
Compound name
6-methoxy-8-[(6-methoxy-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-yl)oxy]-1,2-dimethyl-3,4-dihydro-1H-isoquinolin-7-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

412.2362 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 413.24348 206.1
[M+Na]+ 435.22542 213.6
[M-H]- 411.22892 210.2
[M+NH4]+ 430.27002 215.9
[M+K]+ 451.19936 208.8
[M+H-H2O]+ 395.23346 195.4
[M+HCOO]- 457.23440 216.5
[M+CH3COO]- 471.25005 231.2
[M+Na-2H]- 433.21087 204.0
[M]+ 412.23565 208.4
[M]- 412.23675 208.4
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

No patent data available for this compound.