CID 19676030

N-(5-chloro-2,4-dimethoxyphenyl)-n'-phenylthiourea

Structural Information

Molecular Formula
C15H15ClN2O2S
SMILES
COC1=CC(=C(C=C1NC(=S)NC2=CC=CC=C2)Cl)OC
InChI
InChI=1S/C15H15ClN2O2S/c1-19-13-9-14(20-2)12(8-11(13)16)18-15(21)17-10-6-4-3-5-7-10/h3-9H,1-2H3,(H2,17,18,21)
InChIKey
PIDJYBBHASGDIV-UHFFFAOYSA-N
Compound name
1-(5-chloro-2,4-dimethoxyphenyl)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

322.0543 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 323.06158 172.1
[M+Na]+ 345.04352 185.3
[M+NH4]+ 340.08812 180.6
[M+K]+ 361.01746 175.6
[M-H]- 321.04702 177.5
[M+Na-2H]- 343.02897 180.3
[M]+ 322.05375 176.3
[M]- 322.05485 176.3
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