CID 281691

Machiline

Structural Information

Molecular Formula
C17H19NO3
SMILES
COC1=C(C=C2C(NCCC2=C1)CC3=CC=C(C=C3)O)O
InChI
InChI=1S/C17H19NO3/c1-21-17-9-12-6-7-18-15(14(12)10-16(17)20)8-11-2-4-13(19)5-3-11/h2-5,9-10,15,18-20H,6-8H2,1H3
InChIKey
LVVKXRQZSRUVPY-UHFFFAOYSA-N
Compound name
1-[(4-hydroxyphenyl)methyl]-6-methoxy-1,2,3,4-tetrahydroisoquinolin-7-ol
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

37
References

631
Patents

285.1365 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 286.14378 166.3
[M+Na]+ 308.12572 173.1
[M-H]- 284.12922 168.5
[M+NH4]+ 303.17032 179.8
[M+K]+ 324.09966 167.3
[M+H-H2O]+ 268.13376 158.4
[M+HCOO]- 330.13470 181.2
[M+CH3COO]- 344.15035 176.0
[M+Na-2H]- 306.11117 169.9
[M]+ 285.13595 163.2
[M]- 285.13705 163.2
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