CID 371712

Nsc646160

Structural Information

Molecular Formula

C₁₄H₁₃NOS

SMILES

C1=CC=C(C=C1)CN(C(=S)C2=CC=CC=C2)O

InChI

InChI=1S/C14H13NOS/c16-15(11-12-7-3-1-4-8-12)14(17)13-9-5-2-6-10-13/h1-10,16H,11H2

InChIKey

ODICBYUPKZRFOG-UHFFFAOYSA-N

Compound name

N-benzyl-N-hydroxybenzenecarbothioamide

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 243.0718 Da
Monoisotopic Mass: 3.0
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]+	244.07908	153.5
[M+Na]+	266.06102	159.3
[M-H]-	242.06452	160.0
[M+NH4]+	261.10562	170.6
[M+K]+	282.03496	155.2
[M+H-H2O]+	226.06906	146.1
[M+HCOO]-	288.07000	172.1
[M+CH3COO]-	302.08565	192.8
[M+Na-2H]-	264.04647	156.8
[M]+	243.07125	153.5
[M]-	243.07235	153.5

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.