CID 371188

Nsc645242

Structural Information

Molecular Formula
C20H25NO4
SMILES
CN1CCC2=CC(=C(C=C2C1CC3=CC(=C(C=C3)O)OC)OC)OC
InChI
InChI=1S/C20H25NO4/c1-21-8-7-14-11-19(24-3)20(25-4)12-15(14)16(21)9-13-5-6-17(22)18(10-13)23-2/h5-6,10-12,16,22H,7-9H2,1-4H3
InChIKey
SSBPHQDXIDTEDU-UHFFFAOYSA-N
Compound name
4-[(6,7-dimethoxy-2-methyl-3,4-dihydro-1H-isoquinolin-1-yl)methyl]-2-methoxyphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

1
Patents

343.17834 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18562 183.0
[M+Na]+ 366.16756 190.7
[M-H]- 342.17106 188.0
[M+NH4]+ 361.21216 195.9
[M+K]+ 382.14150 186.9
[M+H-H2O]+ 326.17560 173.8
[M+HCOO]- 388.17654 199.8
[M+CH3COO]- 402.19219 214.0
[M+Na-2H]- 364.15301 184.3
[M]+ 343.17779 186.6
[M]- 343.17889 186.6
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.