CID 16729020

Chembl231320

Structural Information

Molecular Formula
C9H10ClN3OS
SMILES
C/C(=N\NC(=S)NO)/C1=CC=C(C=C1)Cl
InChI
InChI=1S/C9H10ClN3OS/c1-6(11-12-9(15)13-14)7-2-4-8(10)5-3-7/h2-5,14H,1H3,(H2,12,13,15)/b11-6+
InChIKey
NWAJUWQCVYXDNY-IZZDOVSWSA-N
Compound name
1-[(E)-1-(4-chlorophenyl)ethylideneamino]-3-hydroxythiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

243.02332 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 244.03060 151.1
[M+Na]+ 266.01254 157.7
[M-H]- 242.01604 154.9
[M+NH4]+ 261.05714 169.0
[M+K]+ 281.98648 152.8
[M+H-H2O]+ 226.02058 145.4
[M+HCOO]- 288.02152 167.2
[M+CH3COO]- 302.03717 194.9
[M+Na-2H]- 263.99799 153.8
[M]+ 243.02277 151.7
[M]- 243.02387 151.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.