CID 730557

1-(2,5-dimethoxyphenyl)-3-phenyl-2-thiourea

Structural Information

Molecular Formula
C15H16N2O2S
SMILES
COC1=CC(=C(C=C1)OC)NC(=S)NC2=CC=CC=C2
InChI
InChI=1S/C15H16N2O2S/c1-18-12-8-9-14(19-2)13(10-12)17-15(20)16-11-6-4-3-5-7-11/h3-10H,1-2H3,(H2,16,17,20)
InChIKey
DYIPNXQBWVUFEX-UHFFFAOYSA-N
Compound name
1-(2,5-dimethoxyphenyl)-3-phenylthiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

3
Patents

288.09326 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.100536 164.6
[M+Na]+ 311.082478 171.0
[M-H]- 287.085984 171.4
[M+NH4]+ 306.127083 180.1
[M+K]+ 327.056418 166.6
[M+H-H2O]+ 271.090520 156.5
[M+HCOO]- 333.091461 185.0
[M+CH3COO]- 347.107111 203.7
[M+Na-2H]- 309.067926 167.8
[M]+ 288.09271142 166.9
[M]- 288.09380858 166.9
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