CID 40954

7-bromotacrine

Structural Information

Molecular Formula

C₁₃H₁₃BrN₂

SMILES

C1CCC2=NC3=C(C=C(C=C3)Br)C(=C2C1)N

InChI

InChI=1S/C13H13BrN2/c14-8-5-6-12-10(7-8)13(15)9-3-1-2-4-11(9)16-12/h5-7H,1-4H2,(H2,15,16)

InChIKey

HUWWFDOJYOUTTO-UHFFFAOYSA-N

Compound name

7-bromo-1,2,3,4-tetrahydroacridin-9-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 3
Patents: 276.0262 Da
Monoisotopic Mass: 3.4
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]+	277.03348	155.1
[M+Na]+	299.01542	166.0
[M-H]-	275.01892	160.9
[M+NH4]+	294.06002	175.2
[M+K]+	314.98936	153.4
[M+H-H2O]+	259.02346	154.0
[M+HCOO]-	321.02440	171.8
[M+CH3COO]-	335.04005	168.4
[M+Na-2H]-	297.00087	163.2
[M]+	276.02565	169.8
[M]-	276.02675	169.8

Literature stripe

literature stripe

Patent stripe

patents stripe