CID 201168

1-(2-hydroxyphenyl)tetrahydronorharman hydrochloride

Structural Information

Molecular Formula
C17H16N2O
SMILES
C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC=CC=C4O
InChI
InChI=1S/C17H16N2O/c20-15-8-4-2-6-13(15)16-17-12(9-10-18-16)11-5-1-3-7-14(11)19-17/h1-8,16,18-20H,9-10H2
InChIKey
DLRFYHZDPBAQHF-UHFFFAOYSA-N
Compound name
2-(2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indol-1-yl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

264.12625 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 265.13353 159.3
[M+Na]+ 287.11547 167.8
[M-H]- 263.11897 161.6
[M+NH4]+ 282.16007 175.0
[M+K]+ 303.08941 159.7
[M+H-H2O]+ 247.12351 151.4
[M+HCOO]- 309.12445 174.7
[M+CH3COO]- 323.14010 169.7
[M+Na-2H]- 285.10092 164.6
[M]+ 264.12570 154.6
[M]- 264.12680 154.6
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