CID 157218

Anomurine

Structural Information

Molecular Formula
C20H25NO4
SMILES
COC1=CC=C(C=C1)CC2C3=CC(=C(C(=C3CCN2)OC)OC)OC
InChI
InChI=1S/C20H25NO4/c1-22-14-7-5-13(6-8-14)11-17-16-12-18(23-2)20(25-4)19(24-3)15(16)9-10-21-17/h5-8,12,17,21H,9-11H2,1-4H3
InChIKey
CMQSBRRTRZPLHE-UHFFFAOYSA-N
Compound name
5,6,7-trimethoxy-1-[(4-methoxyphenyl)methyl]-1,2,3,4-tetrahydroisoquinoline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

343.17834 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.18562 183.0
[M+Na]+ 366.16756 197.1
[M+NH4]+ 361.21216 190.4
[M+K]+ 382.14150 189.3
[M-H]- 342.17106 186.8
[M+Na-2H]- 364.15301 188.8
[M]+ 343.17779 186.1
[M]- 343.17889 186.1
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