CID 735919

13153-01-0

Structural Information

Molecular Formula

C₁₄H₁₃N₃OS

SMILES

C1=CC=C(C=C1)C(=O)NNC(=S)NC2=CC=CC=C2

InChI

InChI=1S/C14H13N3OS/c18-13(11-7-3-1-4-8-11)16-17-14(19)15-12-9-5-2-6-10-12/h1-10H,(H,16,18)(H2,15,17,19)

InChIKey

YFIKTVJZVZMIMY-UHFFFAOYSA-N

Compound name

1-benzamido-3-phenylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 13
References: 6
Patents: 271.07794 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]+	272.08522	160.2
[M+Na]+	294.06716	170.6
[M+NH4]+	289.11176	168.2
[M+K]+	310.04110	162.1
[M-H]-	270.07066	165.7
[M+Na-2H]-	292.05261	169.1
[M]+	271.07739	163.4
[M]-	271.07849	163.4

Literature stripe

literature stripe

Patent stripe

patents stripe