CID 703638

N-(4-hydroxyphenyl)-n'-phenylthiourea

Structural Information

Molecular Formula
C13H12N2OS
SMILES
C1=CC=C(C=C1)NC(=S)NC2=CC=C(C=C2)O
InChI
InChI=1S/C13H12N2OS/c16-12-8-6-11(7-9-12)15-13(17)14-10-4-2-1-3-5-10/h1-9,16H,(H2,14,15,17)
InChIKey
PWLPSXPCUHUSAT-UHFFFAOYSA-N
Compound name
1-(4-hydroxyphenyl)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

57
Patents

244.06703 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07431 151.9
[M+Na]+ 267.05625 158.1
[M-H]- 243.05975 157.3
[M+NH4]+ 262.10085 168.3
[M+K]+ 283.03019 152.7
[M+H-H2O]+ 227.06429 144.7
[M+HCOO]- 289.06523 171.3
[M+CH3COO]- 303.08088 192.0
[M+Na-2H]- 265.04170 156.4
[M]+ 244.06648 149.9
[M]- 244.06758 149.9
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.