CID 2060579

[4-(benzyloxy)phenyl]thiourea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

2
References

53
Patents

258.08267 Da
Monoisotopic Mass

3.0
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

literature stripe

Patent stripe

patents stripe