CID 2802377

254980-80-8

Structural Information

Molecular Formula

C₂₂H₁₇FN₂O

SMILES

C1CN(CC2=C1NC3=C2C=C(C=C3)F)C(=O)C4=CC=CC5=CC=CC=C54

InChI

InChI=1S/C22H17FN2O/c23-15-8-9-20-18(12-15)19-13-25(11-10-21(19)24-20)22(26)17-7-3-5-14-4-1-2-6-16(14)17/h1-9,12,24H,10-11,13H2

InChIKey

WSZUGTWOLPBDQI-UHFFFAOYSA-N

Compound name

(8-fluoro-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-naphthalen-1-ylmethanone

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 3
References: 0
Patents: 344.13248 Da
Monoisotopic Mass: 4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	345.139756	180.9
[M+Na]+	367.121698	189.9
[M-H]-	343.125204	185.1
[M+NH4]+	362.166303	195.2
[M+K]+	383.095638	181.1
[M+H-H2O]+	327.129740	170.1
[M+HCOO]-	389.130681	194.9
[M+CH3COO]-	403.146331	190.2
[M+Na-2H]-	365.107146	184.0
[M]+	344.13193142	177.8
[M]-	344.13302858	177.8

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.