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]+ 342.12708 177.4
[M+Na]+ 364.10902 185.0
[M-H]- 340.11252 184.1
[M+NH4]+ 359.15362 192.4
[M+K]+ 380.08296 179.6
[M+H-H2O]+ 324.11706 169.0
[M+HCOO]- 386.11800 197.8
[M+CH3COO]- 400.13365 212.4
[M+Na-2H]- 362.09447 181.2
[M]+ 341.11925 182.6
[M]- 341.12035 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.