CID 5277305

(3-phenoxyphenyl)thiourea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

3
References

16
Patents

244.06703 Da
Monoisotopic Mass

2.3
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

literature stripe

Patent stripe

patents stripe