CID 4216495

Ethyl 2-(3-(5-nitro-2-thiazolyl)ureido)acetate

Structural Information

Molecular Formula
C8H10N4O5S
SMILES
CCOC(=O)CNC(=O)NC1=NC=C(S1)[N+](=O)[O-]
InChI
InChI=1S/C8H10N4O5S/c1-2-17-6(13)4-9-7(14)11-8-10-3-5(18-8)12(15)16/h3H,2,4H2,1H3,(H2,9,10,11,14)
InChIKey
NWJKFWASOQZFCS-UHFFFAOYSA-N
Compound name
ethyl 2-[(5-nitro-1,3-thiazol-2-yl)carbamoylamino]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.0372 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.04448 155.1
[M+Na]+ 297.02642 159.8
[M-H]- 273.02992 157.6
[M+NH4]+ 292.07102 170.2
[M+K]+ 313.00036 154.5
[M+H-H2O]+ 257.03446 151.9
[M+HCOO]- 319.03540 175.9
[M+CH3COO]- 333.05105 190.6
[M+Na-2H]- 295.01187 159.0
[M]+ 274.03665 155.8
[M]- 274.03775 155.8
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.