CID 706970

1,3-bis(4-methoxyphenyl)thiourea

Structural Information

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

2D Structure

compound 2d structure
2
Annotation Hits

5
References

82
Patents

288.09326 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.10054 164.6
[M+Na]+ 311.08248 171.0
[M-H]- 287.08598 171.4
[M+NH4]+ 306.12708 180.1
[M+K]+ 327.05642 166.6
[M+H-H2O]+ 271.09052 156.5
[M+HCOO]- 333.09146 185.0
[M+CH3COO]- 347.10711 203.7
[M+Na-2H]- 309.06793 167.8
[M]+ 288.09271 166.9
[M]- 288.09381 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