CID 41403

55311-62-1

Structural Information

Molecular Formula

C₁₆H₁₇ClN₂S

SMILES

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

InChI

InChI=1S/C16H17ClN2S/c1-12-4-9-16(13(2)10-12)18-11-19(3)20-15-7-5-14(17)6-8-15/h4-11H,1-3H3

InChIKey

MZTDHAJDLGWQMR-UHFFFAOYSA-N

Compound name

N-(4-chlorophenyl)sulfanyl-N'-(2,4-dimethylphenyl)-N-methylmethanimidamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 4
Patents: 304.0801 Da
Monoisotopic Mass: 4.9
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]+	305.087376	169.3
[M+Na]+	327.069318	178.0
[M-H]-	303.072824	179.0
[M+NH4]+	322.113923	186.9
[M+K]+	343.043258	172.4
[M+H-H2O]+	287.077360	161.8
[M+HCOO]-	349.078301	187.3
[M+CH3COO]-	363.093951	212.9
[M+Na-2H]-	325.054766	171.2
[M]+	304.07955142	175.5
[M]-	304.08064858	175.5

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe