CID 135764758

[(e)-(4-hydroxy-2-methoxy-phenyl)methyleneamino]thiourea

Structural Information

Molecular Formula
C9H11N3O2S
SMILES
COC1=C(C=CC(=C1)O)/C=N/NC(=S)N
InChI
InChI=1S/C9H11N3O2S/c1-14-8-4-7(13)3-2-6(8)5-11-12-9(10)15/h2-5,13H,1H3,(H3,10,12,15)/b11-5+
InChIKey
HNEIZDZRUSKZLK-VZUCSPMQSA-N
Compound name
[(E)-(4-hydroxy-2-methoxyphenyl)methylideneamino]thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

225.0572 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 226.064476 147.0
[M+Na]+ 248.046418 153.8
[M-H]- 224.049924 150.4
[M+NH4]+ 243.091023 164.6
[M+K]+ 264.020358 150.3
[M+H-H2O]+ 208.054460 139.9
[M+HCOO]- 270.055401 168.0
[M+CH3COO]- 284.071051 193.7
[M+Na-2H]- 246.031866 149.6
[M]+ 225.05665142 146.9
[M]- 225.05774858 146.9
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.