CID 3032409

1614-30-8

Structural Information

Molecular Formula

C₁₄H₁₄N₄S₂

SMILES

C1=CC(=CC=C1C2=CC=C(C=C2)NC(=S)N)NC(=S)N

InChI

InChI=1S/C14H14N4S2/c15-13(19)17-11-5-1-9(2-6-11)10-3-7-12(8-4-10)18-14(16)20/h1-8H,(H3,15,17,19)(H3,16,18,20)

InChIKey

FAOJSYHCXVRQKK-UHFFFAOYSA-N

Compound name

[4-[4-(carbamothioylamino)phenyl]phenyl]thiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 302.06598 Da
Monoisotopic Mass: 2.0
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]+	303.073256	163.7
[M+Na]+	325.055198	169.0
[M-H]-	301.058704	168.4
[M+NH4]+	320.099803	177.2
[M+K]+	341.029138	160.9
[M+H-H2O]+	285.063240	155.6
[M+HCOO]-	347.064181	177.5
[M+CH3COO]-	361.079831	210.2
[M+Na-2H]-	323.040646	164.4
[M]+	302.06543142	158.9
[M]-	302.06652858	158.9

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.