CID 775364

1,4-diphenyl-3-thiosemicarbazide

Structural Information

Molecular Formula

C₁₃H₁₃N₃S

SMILES

C1=CC=C(C=C1)NC(=S)NNC2=CC=CC=C2

InChI

InChI=1S/C13H13N3S/c17-13(14-11-7-3-1-4-8-11)16-15-12-9-5-2-6-10-12/h1-10,15H,(H2,14,16,17)

InChIKey

VGIVYSWGHVFQRP-UHFFFAOYSA-N

Compound name

1-anilino-3-phenylthiourea

Related CIDs

2D Structure

compound 2d structure

2
Annotation Hits: 5
References: 82
Patents: 243.08302 Da
Monoisotopic Mass: 3.4
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]+	244.09030	152.7
[M+Na]+	266.07224	164.1
[M+NH4]+	261.11684	161.8
[M+K]+	282.04618	154.6
[M-H]-	242.07574	159.2
[M+Na-2H]-	264.05769	162.7
[M]+	243.08247	156.5
[M]-	243.08357	156.5

Literature stripe

literature stripe

Patent stripe

patents stripe