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]+ 174.033176 132.4
[M+Na]+ 196.015118 139.9
[M-H]- 172.018624 134.7
[M+NH4]+ 191.059723 152.6
[M+K]+ 211.989058 138.5
[M+H-H2O]+ 156.023160 125.6
[M+HCOO]- 218.024101 153.4
[M+CH3COO]- 232.039751 178.3
[M+Na-2H]- 194.000566 135.8
[M]+ 173.02535142 133.2
[M]- 173.02644858 133.2
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

No patent data available for this compound.