CID 3032463

Usaf ek-7162

Structural Information

Molecular Formula

C₁₃H₁₄N₂S

SMILES

CCN(C1=CC=CC2=CC=CC=C21)C(=S)N

InChI

InChI=1S/C13H14N2S/c1-2-15(13(14)16)12-9-5-7-10-6-3-4-8-11(10)12/h3-9H,2H2,1H3,(H2,14,16)

InChIKey

KIJJAHDWPAWNGH-UHFFFAOYSA-N

Compound name

1-ethyl-1-naphthalen-1-ylthiourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 35
Patents: 230.08777 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]+	231.09505	149.4
[M+Na]+	253.07699	156.2
[M-H]-	229.08049	154.7
[M+NH4]+	248.12159	168.8
[M+K]+	269.05093	152.4
[M+H-H2O]+	213.08503	142.7
[M+HCOO]-	275.08597	168.2
[M+CH3COO]-	289.10162	197.5
[M+Na-2H]-	251.06244	153.3
[M]+	230.08722	149.6
[M]-	230.08832	149.6

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe