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 170.9
[M+Na]+ 345.04352 178.8
[M-H]- 321.04702 178.0
[M+NH4]+ 340.08812 186.3
[M+K]+ 361.01746 172.9
[M+H-H2O]+ 305.05156 164.0
[M+HCOO]- 367.05250 186.8
[M+CH3COO]- 381.06815 208.5
[M+Na-2H]- 343.02897 173.0
[M]+ 322.05375 175.8
[M]- 322.05485 175.8
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