CID 16729010

Chembl230273

Structural Information

Molecular Formula

C₁₀H₁₄N₄OS

SMILES

CN(C)C1=CC=C(C=C1)/C=N/NC(=S)NO

InChI

InChI=1S/C10H14N4OS/c1-14(2)9-5-3-8(4-6-9)7-11-12-10(16)13-15/h3-7,15H,1-2H3,(H2,12,13,16)/b11-7+

InChIKey

GIUKKKZUADNPOH-YRNVUSSQSA-N

Compound name

1-[(E)-[4-(dimethylamino)phenyl]methylideneamino]-3-hydroxythiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 1
References: 0
Patents: 238.08884 Da
Monoisotopic Mass: 1.2
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]+	239.096116	152.3
[M+Na]+	261.078058	157.2
[M-H]-	237.081564	157.1
[M+NH4]+	256.122663	169.7
[M+K]+	277.051998	154.8
[M+H-H2O]+	221.086100	144.3
[M+HCOO]-	283.087041	174.8
[M+CH3COO]-	297.102691	201.8
[M+Na-2H]-	259.063506	155.8
[M]+	238.08829142	152.2
[M]-	238.08938858	152.2

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.