CID 2760349

4-phenoxyphenylthiourea

Structural Information

Molecular Formula
C13H12N2OS
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)NC(=S)N
InChI
InChI=1S/C13H12N2OS/c14-13(17)15-10-6-8-12(9-7-10)16-11-4-2-1-3-5-11/h1-9H,(H3,14,15,17)
InChIKey
SSZWMEWZRURHTK-UHFFFAOYSA-N
Compound name
(4-phenoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

83
Patents

244.06703 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.07431 152.3
[M+Na]+ 267.05625 158.9
[M-H]- 243.05975 158.6
[M+NH4]+ 262.10085 169.1
[M+K]+ 283.03019 154.0
[M+H-H2O]+ 227.06429 144.7
[M+HCOO]- 289.06523 172.6
[M+CH3COO]- 303.08088 194.5
[M+Na-2H]- 265.04170 156.1
[M]+ 244.06648 151.2
[M]- 244.06758 151.2
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

patents stripe