CID 97335

(4-thiazolylmethoxy)urea

Structural Information

Molecular Formula
C5H7N3O2S
SMILES
C1=C(N=CS1)CONC(=O)N
InChI
InChI=1S/C5H7N3O2S/c6-5(9)8-10-1-4-2-11-3-7-4/h2-3H,1H2,(H3,6,8,9)
InChIKey
WYMYWRRJBGGVLG-UHFFFAOYSA-N
Compound name
1,3-thiazol-4-ylmethoxyurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

173.0259 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 174.03318 133.9
[M+Na]+ 196.01512 141.5
[M+NH4]+ 191.05972 141.0
[M+K]+ 211.98906 137.7
[M-H]- 172.01862 134.5
[M+Na-2H]- 194.00057 137.8
[M]+ 173.02535 135.0
[M]- 173.02645 135.0
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.