CID 805412

1,3-bis(4-hydroxyphenyl)thiourea

Structural Information

Molecular Formula
C13H12N2O2S
SMILES
C1=CC(=CC=C1NC(=S)NC2=CC=C(C=C2)O)O
InChI
InChI=1S/C13H12N2O2S/c16-11-5-1-9(2-6-11)14-13(18)15-10-3-7-12(17)8-4-10/h1-8,16-17H,(H2,14,15,18)
InChIKey
OXQMYTLVQRRPJB-UHFFFAOYSA-N
Compound name
1,3-bis(4-hydroxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

2
Patents

260.06195 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 261.06923 155.3
[M+Na]+ 283.05117 161.8
[M-H]- 259.05467 159.6
[M+NH4]+ 278.09577 170.5
[M+K]+ 299.02511 156.1
[M+H-H2O]+ 243.05921 148.3
[M+HCOO]- 305.06015 173.4
[M+CH3COO]- 319.07580 193.0
[M+Na-2H]- 281.03662 158.8
[M]+ 260.06140 153.3
[M]- 260.06250 153.3
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.