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 173.3
[M+Na]+ 339.11376 178.8
[M-H]- 315.11726 179.6
[M+NH4]+ 334.15836 187.6
[M+K]+ 355.08770 174.0
[M+H-H2O]+ 299.12180 164.7
[M+HCOO]- 361.12274 193.0
[M+CH3COO]- 375.13839 209.6
[M+Na-2H]- 337.09921 175.5
[M]+ 316.12399 176.2
[M]- 316.12509 176.2
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