CID 198914

3489-14-3

Structural Information

Molecular Formula
C17H16N2O
SMILES
C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC(=CC=C4)O
InChI
InChI=1S/C17H16N2O/c20-12-5-3-4-11(10-12)16-17-14(8-9-18-16)13-6-1-2-7-15(13)19-17/h1-7,10,16,18-20H,8-9H2
InChIKey
PBHDVNKOSVXBHD-UHFFFAOYSA-N
Compound name
3-(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

6
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 161.3
[M+Na]+ 287.11547 176.3
[M+NH4]+ 282.16007 170.4
[M+K]+ 303.08941 169.7
[M-H]- 263.11897 165.1
[M+Na-2H]- 285.10092 168.3
[M]+ 264.12570 164.5
[M]- 264.12680 164.5
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