CID 3035276

1756-44-1

Structural Information

Molecular Formula
C17H20N2O2S
SMILES
CCOC1=CC=CC=C1NC(=S)NC2=CC=CC=C2OCC
InChI
InChI=1S/C17H20N2O2S/c1-3-20-15-11-7-5-9-13(15)18-17(22)19-14-10-6-8-12-16(14)21-4-2/h5-12H,3-4H2,1-2H3,(H2,18,19,22)
InChIKey
JNYGERXLRVWVMQ-UHFFFAOYSA-N
Compound name
1,3-bis(2-ethoxyphenyl)thiourea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

316.12454 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.13182 173.9
[M+Na]+ 339.11376 185.5
[M+NH4]+ 334.15836 181.7
[M+K]+ 355.08770 176.0
[M-H]- 315.11726 179.1
[M+Na-2H]- 337.09921 181.8
[M]+ 316.12399 177.4
[M]- 316.12509 177.4
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