CID 212315

N-(5-methyl-2-furoyl)urea

Structural Information

Molecular Formula
C7H8N2O3
SMILES
CC1=CC=C(O1)C(=O)NC(=O)N
InChI
InChI=1S/C7H8N2O3/c1-4-2-3-5(12-4)6(10)9-7(8)11/h2-3H,1H3,(H3,8,9,10,11)
InChIKey
CKOUZNMKYWWCOX-UHFFFAOYSA-N
Compound name
N-carbamoyl-5-methylfuran-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

168.0535 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 169.060776 134.4
[M+Na]+ 191.042718 141.7
[M-H]- 167.046224 138.7
[M+NH4]+ 186.087323 154.4
[M+K]+ 207.016658 142.1
[M+H-H2O]+ 151.050760 128.5
[M+HCOO]- 213.051701 159.7
[M+CH3COO]- 227.067351 180.5
[M+Na-2H]- 189.028166 138.6
[M]+ 168.05295142 134.0
[M]- 168.05404858 134.0
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.