CID 93708

1,2-bis(2-aminophenylthio)propane

Structural Information

Molecular Formula

C₁₅H₁₈N₂S₂

SMILES

CC(CSC1=CC=CC=C1N)SC2=CC=CC=C2N

InChI

InChI=1S/C15H18N2S2/c1-11(19-15-9-5-3-7-13(15)17)10-18-14-8-4-2-6-12(14)16/h2-9,11H,10,16-17H2,1H3

InChIKey

JUNGPRNTMDWRKG-UHFFFAOYSA-N

Compound name

2-[2-(2-aminophenyl)sulfanylpropylsulfanyl]aniline

Related CIDs

2D Structure

compound 2d structure

3
Annotation Hits: 0
References: 8
Patents: 290.09116 Da
Monoisotopic Mass: 3.7
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]+	291.098436	161.8
[M+Na]+	313.080378	168.2
[M-H]-	289.083884	166.7
[M+NH4]+	308.124983	176.9
[M+K]+	329.054318	160.8
[M+H-H2O]+	273.088420	154.2
[M+HCOO]-	335.089361	174.4
[M+CH3COO]-	349.105011	204.8
[M+Na-2H]-	311.065826	161.5
[M]+	290.09061142	161.0
[M]-	290.09170858	161.0

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe