CID 5277347

(4-phenoxyphenyl)methylthiourea

Structural Information

Molecular Formula
C14H14N2OS
SMILES
C1=CC=C(C=C1)OC2=CC=C(C=C2)CNC(=S)N
InChI
InChI=1S/C14H14N2OS/c15-14(18)16-10-11-6-8-13(9-7-11)17-12-4-2-1-3-5-12/h1-9H,10H2,(H3,15,16,18)
InChIKey
VTJGIHFDKNNRLZ-UHFFFAOYSA-N
Compound name
(4-phenoxyphenyl)methylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

11
Patents

258.08267 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.089946 156.6
[M+Na]+ 281.071888 162.8
[M-H]- 257.075394 162.7
[M+NH4]+ 276.116493 172.9
[M+K]+ 297.045828 157.6
[M+H-H2O]+ 241.079930 148.9
[M+HCOO]- 303.080871 176.6
[M+CH3COO]- 317.096521 197.5
[M+Na-2H]- 279.057336 159.9
[M]+ 258.08212142 155.9
[M]- 258.08321858 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

patents stripe