CID 97343

Urea, 1-phenyl-3-(4-thiazolylmethoxy)-

Structural Information

Molecular Formula
C11H11N3O2S
SMILES
C1=CC=C(C=C1)NC(=O)NOCC2=CSC=N2
InChI
InChI=1S/C11H11N3O2S/c15-11(13-9-4-2-1-3-5-9)14-16-6-10-7-17-8-12-10/h1-5,7-8H,6H2,(H2,13,14,15)
InChIKey
MDKDGBLEKGDTDY-UHFFFAOYSA-N
Compound name
1-phenyl-3-(1,3-thiazol-4-ylmethoxy)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

249.0572 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 250.06448 152.0
[M+Na]+ 272.04642 158.6
[M-H]- 248.04992 157.7
[M+NH4]+ 267.09102 169.3
[M+K]+ 288.02036 155.4
[M+H-H2O]+ 232.05446 144.0
[M+HCOO]- 294.05540 173.5
[M+CH3COO]- 308.07105 191.9
[M+Na-2H]- 270.03187 156.3
[M]+ 249.05665 153.6
[M]- 249.05775 153.6
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

No patent data available for this compound.