CID 686507

1-(4-methoxyphenyl)-3-phenylthiourea

Structural Information

Molecular Formula
C14H14N2OS
SMILES
COC1=CC=C(C=C1)NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C14H14N2OS/c1-17-13-9-7-12(8-10-13)16-14(18)15-11-5-3-2-4-6-11/h2-10H,1H3,(H2,15,16,18)
InChIKey
JMKRMQGOPWYOGL-UHFFFAOYSA-N
Compound name
1-(4-methoxyphenyl)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

11
References

62
Patents

258.08267 Da
Monoisotopic Mass

2.1
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 163.2
[M+NH4]+ 276.116493 173.2
[M+K]+ 297.045828 158.0
[M+H-H2O]+ 241.079930 148.8
[M+HCOO]- 303.080871 177.2
[M+CH3COO]- 317.096521 197.4
[M+Na-2H]- 279.057336 160.9
[M]+ 258.08212142 156.7
[M]- 258.08321858 156.7
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