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]+ 344.185616 183.0
[M+Na]+ 366.167558 190.7
[M-H]- 342.171064 188.0
[M+NH4]+ 361.212163 195.9
[M+K]+ 382.141498 186.9
[M+H-H2O]+ 326.175600 173.8
[M+HCOO]- 388.176541 199.8
[M+CH3COO]- 402.192191 214.0
[M+Na-2H]- 364.153006 184.3
[M]+ 343.17779142 186.6
[M]- 343.17888858 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

literature stripe

Patent stripe

patents stripe