CID 2016

3,6-diamino-10-methylacridinium chloride

Structural Information

Molecular Formula

C₁₄H₁₄N₃

SMILES

C[N+]1=C2C=C(C=CC2=CC3=C1C=C(C=C3)N)N

InChI

InChI=1S/C14H13N3/c1-17-13-7-11(15)4-2-9(13)6-10-3-5-12(16)8-14(10)17/h2-8H,1H3,(H3,15,16)/p+1

InChIKey

XSIOKTWDEOJMGG-UHFFFAOYSA-O

Compound name

10-methylacridin-10-ium-3,6-diamine

Related CIDs

2D Structure

compound 2d structure

4
Annotation Hits: 199
References: 14932
Patents: 224.11877 Da
Monoisotopic Mass: 2.3
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]+	225.12605	148.8
[M+Na]+	247.10799	159.8
[M-H]-	223.11149	153.5
[M+NH4]+	242.15259	167.3
[M+K]+	263.08193	148.5
[M+H-H2O]+	207.11603	144.2
[M+HCOO]-	269.11697	171.9
[M+CH3COO]-	283.13262	190.3
[M+Na-2H]-	245.09344	160.0
[M]+	224.11822	147.2
[M]-	224.11932	147.2

Literature stripe

literature stripe

Patent stripe

patents stripe