CID 92732

Laudanine

Structural Information

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

2D Structure

compound 2d structure
3
Annotation Hits

19
References

268
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 197.5
[M+NH4]+ 361.21216 190.4
[M+K]+ 382.14150 189.9
[M-H]- 342.17106 186.8
[M+Na-2H]- 364.15301 188.6
[M]+ 343.17779 186.2
[M]- 343.17889 186.2
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