CID 488714

3-acridinamine, 9-(ethylthio)-

Structural Information

Molecular Formula

C₁₅H₁₄N₂S

SMILES

CCSC1=C2C=CC(=CC2=NC3=CC=CC=C31)N

InChI

InChI=1S/C15H14N2S/c1-2-18-15-11-5-3-4-6-13(11)17-14-9-10(16)7-8-12(14)15/h3-9H,2,16H2,1H3

InChIKey

KGLWARZDIHKGCE-UHFFFAOYSA-N

Compound name

9-ethylsulfanylacridin-3-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 254.08777 Da
Monoisotopic Mass: 3.6
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]+	255.09505	153.1
[M+Na]+	277.07699	164.2
[M-H]-	253.08049	157.4
[M+NH4]+	272.12159	171.7
[M+K]+	293.05093	157.7
[M+H-H2O]+	237.08503	146.0
[M+HCOO]-	299.08597	170.8
[M+CH3COO]-	313.10162	165.8
[M+Na-2H]-	275.06244	160.4
[M]+	254.08722	156.5
[M]-	254.08832	156.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.