CID 146098

Acridizinium bromide

Structural Information

Molecular Formula

C₁₃H₁₀N

SMILES

C1=CC=C2C=[N+]3C=CC=CC3=CC2=C1

InChI

InChI=1S/C13H10N/c1-2-6-12-10-14-8-4-3-7-13(14)9-11(12)5-1/h1-10H/q+1

InChIKey

ZMPAZEDVJCTAQX-UHFFFAOYSA-N

Compound name

benzo[b]quinolizin-5-ium

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 26
Patents: 180.08133 Da
Monoisotopic Mass: 4.1
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]+	181.08861	136.6
[M+Na]+	203.07055	146.9
[M-H]-	179.07405	141.5
[M+NH4]+	198.11515	157.2
[M+K]+	219.04449	136.7
[M+H-H2O]+	163.07859	132.0
[M+HCOO]-	225.07953	159.3
[M+CH3COO]-	239.09518	176.0
[M+Na-2H]-	201.05600	151.4
[M]+	180.08078	136.6
[M]-	180.08188	136.6

Literature stripe

literature stripe

Patent stripe

patents stripe