CID 2760175

42135-78-4

Structural Information

Molecular Formula

C₁₁H₁₁N₃S

SMILES

C1=CC=C2C(=C1)C=CC=C2NC(=S)NN

InChI

InChI=1S/C11H11N3S/c12-14-11(15)13-10-7-3-5-8-4-1-2-6-9(8)10/h1-7H,12H2,(H2,13,14,15)

InChIKey

TZGQJLSTYZDCHA-UHFFFAOYSA-N

Compound name

1-amino-3-naphthalen-1-ylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 27
Patents: 217.06737 Da
Monoisotopic Mass: 1.3
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]+	218.07465	143.9
[M+Na]+	240.05659	154.8
[M+NH4]+	235.10119	153.3
[M+K]+	256.03053	146.1
[M-H]-	216.06009	148.7
[M+Na-2H]-	238.04204	151.1
[M]+	217.06682	147.1
[M]-	217.06792	147.1

Literature stripe

literature stripe

Patent stripe

patents stripe