CID 16729019

Chembl231319

Structural Information

Molecular Formula
C10H13N3OS
SMILES
CC1=CC=C(C=C1)/C(=N/NC(=S)NO)/C
InChI
InChI=1S/C10H13N3OS/c1-7-3-5-9(6-4-7)8(2)11-12-10(15)13-14/h3-6,14H,1-2H3,(H2,12,13,15)/b11-8+
InChIKey
AFUXZQJGBAJXPV-DHZHZOJOSA-N
Compound name
1-hydroxy-3-[(E)-1-(4-methylphenyl)ethylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

223.07793 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.08521 149.0
[M+Na]+ 246.06715 154.5
[M-H]- 222.07065 152.6
[M+NH4]+ 241.11175 166.8
[M+K]+ 262.04109 151.2
[M+H-H2O]+ 206.07519 141.9
[M+HCOO]- 268.07613 169.2
[M+CH3COO]- 282.09178 194.2
[M+Na-2H]- 244.05260 151.6
[M]+ 223.07738 147.9
[M]- 223.07848 147.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.