CID 182440

6-o-methylnorlaudanosolinium

Structural Information

Molecular Formula
C17H19NO4
SMILES
COC1=C(C=C2C(NCCC2=C1)CC3=CC(=C(C=C3)O)O)O
InChI
InChI=1S/C17H19NO4/c1-22-17-8-11-4-5-18-13(12(11)9-16(17)21)6-10-2-3-14(19)15(20)7-10/h2-3,7-9,13,18-21H,4-6H2,1H3
InChIKey
RHMGJTZOFARRHB-UHFFFAOYSA-N
Compound name
4-[(7-hydroxy-6-methoxy-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl]benzene-1,2-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

1
References

101
Patents

301.1314 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.13868 170.6
[M+Na]+ 324.12062 183.6
[M+NH4]+ 319.16522 177.4
[M+K]+ 340.09456 177.6
[M-H]- 300.12412 172.9
[M+Na-2H]- 322.10607 175.3
[M]+ 301.13085 173.0
[M]- 301.13195 173.0
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