CID 2735443

1-benzhydryl-2-thiourea

Structural Information

Molecular Formula

C₁₄H₁₄N₂S

SMILES

C1=CC=C(C=C1)C(C2=CC=CC=C2)NC(=S)N

InChI

InChI=1S/C14H14N2S/c15-14(17)16-13(11-7-3-1-4-8-11)12-9-5-2-6-10-12/h1-10,13H,(H3,15,16,17)

InChIKey

ORTDRGIAWHXESM-UHFFFAOYSA-N

Compound name

benzhydrylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 49
Patents: 242.08777 Da
Monoisotopic Mass: 2.8
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]+	243.09505	153.5
[M+Na]+	265.07699	165.3
[M+NH4]+	260.12159	162.8
[M+K]+	281.05093	156.2
[M-H]-	241.08049	159.4
[M+Na-2H]-	263.06244	162.7
[M]+	242.08722	157.3
[M]-	242.08832	157.3

Literature stripe

literature stripe

Patent stripe

patents stripe