CID 2829258

1-(2-naphthyl)-2-thiourea

Structural Information

Molecular Formula

C₁₁H₁₀N₂S

SMILES

C1=CC=C2C=C(C=CC2=C1)NC(=S)N

InChI

InChI=1S/C11H10N2S/c12-11(14)13-10-6-5-8-3-1-2-4-9(8)7-10/h1-7H,(H3,12,13,14)

InChIKey

JCGVEGFEGJLZDW-UHFFFAOYSA-N

Compound name

naphthalen-2-ylthiourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 0
References: 87
Patents: 202.05647 Da
Monoisotopic Mass: 2.7
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]+	203.06375	140.4
[M+Na]+	225.04569	152.6
[M+NH4]+	220.09029	150.4
[M+K]+	241.01963	143.5
[M-H]-	201.04919	145.0
[M+Na-2H]-	223.03114	147.9
[M]+	202.05592	143.9
[M]-	202.05702	143.9

Literature stripe

literature stripe

Patent stripe

patents stripe