CID 2433186

1049762-60-8

Structural Information

Molecular Formula

C₁₄H₁₅NS

SMILES

CC1=C(C=C(C=C1)SC2=CC=C(C=C2)N)C

InChI

InChI=1S/C14H15NS/c1-10-3-6-14(9-11(10)2)16-13-7-4-12(15)5-8-13/h3-9H,15H2,1-2H3

InChIKey

VSXXNOFOEFIDMW-UHFFFAOYSA-N

Compound name

4-(3,4-dimethylphenyl)sulfanylaniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 5
Patents: 229.09251 Da
Monoisotopic Mass: 4.6
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]+	230.09979	149.4
[M+Na]+	252.08173	158.5
[M-H]-	228.08523	156.4
[M+NH4]+	247.12633	168.1
[M+K]+	268.05567	153.1
[M+H-H2O]+	212.08977	142.6
[M+HCOO]-	274.09071	169.1
[M+CH3COO]-	288.10636	193.3
[M+Na-2H]-	250.06718	151.8
[M]+	229.09196	150.3
[M]-	229.09306	150.3

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe