CID 9869276

335166-00-2

Structural Information

Molecular Formula

C₁₉H₂₀Br₂FN₃

SMILES

C1CN(CCN1)CC(CN2C3=C(C=C(C=C3)Br)C4=C2C=CC(=C4)Br)F

InChI

InChI=1S/C19H20Br2FN3/c20-13-1-3-18-16(9-13)17-10-14(21)2-4-19(17)25(18)12-15(22)11-24-7-5-23-6-8-24/h1-4,9-10,15,23H,5-8,11-12H2

InChIKey

BSTYITXHUQTYBA-UHFFFAOYSA-N

Compound name

3,6-dibromo-9-(2-fluoro-3-piperazin-1-ylpropyl)carbazole

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 8
References: 229
Patents: 467.0008 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]+	468.00808	186.1
[M+Na]+	489.99002	195.0
[M-H]-	465.99352	191.0
[M+NH4]+	485.03462	199.1
[M+K]+	505.96396	178.8
[M+H-H2O]+	449.99806	192.5
[M+HCOO]-	511.99900	193.6
[M+CH3COO]-	526.01465	195.6
[M+Na-2H]-	487.97547	188.1
[M]+	467.00025	216.8
[M]-	467.00135	216.8

Literature stripe

literature stripe

Patent stripe

patents stripe