CID 5277304

(3-benzyloxyphenyl)thiourea

Structural Information

Molecular Formula
C14H14N2OS
SMILES
C1=CC=C(C=C1)COC2=CC=CC(=C2)NC(=S)N
InChI
InChI=1S/C14H14N2OS/c15-14(18)16-12-7-4-8-13(9-12)17-10-11-5-2-1-3-6-11/h1-9H,10H2,(H3,15,16,18)
InChIKey
ZJVBHZKCEMFREY-UHFFFAOYSA-N
Compound name
(3-phenylmethoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

258.08267 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.08995 156.6
[M+Na]+ 281.07189 162.8
[M-H]- 257.07539 162.7
[M+NH4]+ 276.11649 172.9
[M+K]+ 297.04583 157.6
[M+H-H2O]+ 241.07993 148.9
[M+HCOO]- 303.08087 176.6
[M+CH3COO]- 317.09652 197.5
[M+Na-2H]- 279.05734 159.9
[M]+ 258.08212 155.9
[M]- 258.08322 155.9
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.