CID 201182

1-(3-fluorophenyl)tetrahydronorharman hydrochloride

Structural Information

Molecular Formula
C17H15FN2
SMILES
C1CNC(C2=C1C3=CC=CC=C3N2)C4=CC(=CC=C4)F
InChI
InChI=1S/C17H15FN2/c18-12-5-3-4-11(10-12)16-17-14(8-9-19-16)13-6-1-2-7-15(13)20-17/h1-7,10,16,19-20H,8-9H2
InChIKey
XRGMJPZNCWYTRL-UHFFFAOYSA-N
Compound name
1-(3-fluorophenyl)-2,3,4,9-tetrahydro-1H-pyrido[3,4-b]indole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

7
Patents

266.12192 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.12920 159.2
[M+Na]+ 289.11114 168.3
[M-H]- 265.11464 161.3
[M+NH4]+ 284.15574 175.5
[M+K]+ 305.08508 159.8
[M+H-H2O]+ 249.11918 149.9
[M+HCOO]- 311.12012 174.7
[M+CH3COO]- 325.13577 169.7
[M+Na-2H]- 287.09659 164.0
[M]+ 266.12137 153.8
[M]- 266.12247 153.8
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