CID 377599

65069-75-2

Structural Information

Molecular Formula

C₁₂H₁₂N₂S

SMILES

CSC(=NC1=CC=CC2=CC=CC=C21)N

InChI

InChI=1S/C12H12N2S/c1-15-12(13)14-11-8-4-6-9-5-2-3-7-10(9)11/h2-8H,1H3,(H2,13,14)

InChIKey

IWXCXKDLJQDWSP-UHFFFAOYSA-N

Compound name

methyl N'-naphthalen-1-ylcarbamimidothioate

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 3
Patents: 216.07211 Da
Monoisotopic Mass: 2.9
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]+	217.079386	144.4
[M+Na]+	239.061328	152.2
[M-H]-	215.064834	149.9
[M+NH4]+	234.105933	164.7
[M+K]+	255.035268	148.0
[M+H-H2O]+	199.069370	137.8
[M+HCOO]-	261.070311	164.7
[M+CH3COO]-	275.085961	193.0
[M+Na-2H]-	237.046776	150.0
[M]+	216.07156142	144.9
[M]-	216.07265858	144.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe