CID 9861306

Ckd-712

Structural Information

Molecular Formula
C20H19NO2
SMILES
C1CNC(C2=CC(=C(C=C21)O)O)CC3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C20H19NO2/c22-19-11-15-8-9-21-18(17(15)12-20(19)23)10-14-6-3-5-13-4-1-2-7-16(13)14/h1-7,11-12,18,21-23H,8-10H2
InChIKey
YGCQFKVNIBDJFW-UHFFFAOYSA-N
Compound name
1-(naphthalen-1-ylmethyl)-1,2,3,4-tetrahydroisoquinoline-6,7-diol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

22
References

105
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