CID 135438137

Nsc667886

Structural Information

Molecular Formula

C₁₁H₁₅N₃OS

SMILES

C/C(=N\NC(=S)N(C)C)/C1=CC=CC=C1O

InChI

InChI=1S/C11H15N3OS/c1-8(12-13-11(16)14(2)3)9-6-4-5-7-10(9)15/h4-7,15H,1-3H3,(H,13,16)/b12-8+

InChIKey

HZBQABOWXXTKMC-XYOKQWHBSA-N

Compound name

3-[(E)-1-(2-hydroxyphenyl)ethylideneamino]-1,1-dimethylthiourea

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 1
Patents: 237.09358 Da
Monoisotopic Mass: 1.7
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]+	238.10086	154.1
[M+Na]+	260.08280	159.3
[M-H]-	236.08630	159.1
[M+NH4]+	255.12740	172.0
[M+K]+	276.05674	157.2
[M+H-H2O]+	220.09084	146.7
[M+HCOO]-	282.09178	174.4
[M+CH3COO]-	296.10743	200.5
[M+Na-2H]-	258.06825	155.5
[M]+	237.09303	154.7
[M]-	237.09413	154.7

Literature stripe

literature stripe

Patent stripe

patents stripe