CID 201184

9h-pyrido(3,4-b)indole, 1,2,3,4-tetrahydro-1-(p-fluorophenyl)-, hydrochloride

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

5
References

12
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 161.1
[M+Na]+ 289.11114 176.0
[M+NH4]+ 284.15574 170.3
[M+K]+ 305.08508 168.7
[M-H]- 265.11464 164.2
[M+Na-2H]- 287.09659 168.3
[M]+ 266.12137 164.1
[M]- 266.12247 164.1
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