CID 482078

1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-phenethyl-urea

Structural Information

Molecular Formula
C18H19N3O2S
SMILES
CCOC1=CC2=C(C=C1)N=C(S2)NC(=O)NCCC3=CC=CC=C3
InChI
InChI=1S/C18H19N3O2S/c1-2-23-14-8-9-15-16(12-14)24-18(20-15)21-17(22)19-11-10-13-6-4-3-5-7-13/h3-9,12H,2,10-11H2,1H3,(H2,19,20,21,22)
InChIKey
YEZUYOOZUWIKQB-UHFFFAOYSA-N
Compound name
1-(6-ethoxy-1,3-benzothiazol-2-yl)-3-(2-phenylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.1198 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.127076 177.4
[M+Na]+ 364.109018 185.0
[M-H]- 340.112524 184.1
[M+NH4]+ 359.153623 192.4
[M+K]+ 380.082958 179.6
[M+H-H2O]+ 324.117060 169.0
[M+HCOO]- 386.118001 197.8
[M+CH3COO]- 400.133651 212.4
[M+Na-2H]- 362.094466 181.2
[M]+ 341.11925142 182.6
[M]- 341.12034858 182.6
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

No patent data available for this compound.