CID 9817980

Ys 51

Structural Information

Molecular Formula
C20H19NO2
SMILES
C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC4=CC=CC=C4C=C3
InChI
InChI=1S/C20H19NO2/c22-19-11-16-7-8-21-18(17(16)12-20(19)23)10-13-5-6-14-3-1-2-4-15(14)9-13/h1-6,9,11-12,18,21-23H,7-8,10H2
InChIKey
WTHURCRQFHKJKU-UHFFFAOYSA-N
Compound name
1-(naphthalen-2-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

13
Patents

305.14157 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.148846 171.3
[M+Na]+ 328.130788 178.1
[M-H]- 304.134294 174.0
[M+NH4]+ 323.175393 184.6
[M+K]+ 344.104728 170.4
[M+H-H2O]+ 288.138830 162.6
[M+HCOO]- 350.139771 184.6
[M+CH3COO]- 364.155421 180.3
[M+Na-2H]- 326.116236 176.2
[M]+ 305.14102142 166.4
[M]- 305.14211858 166.4
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