CID 3059237

76267-00-0

Structural Information

Molecular Formula
C11H13N3O4
SMILES
CC1OC2=C(O1)C=C(C=C2)N(C(=O)N)C(=O)NC
InChI
InChI=1S/C11H13N3O4/c1-6-17-8-4-3-7(5-9(8)18-6)14(10(12)15)11(16)13-2/h3-6H,1-2H3,(H2,12,15)(H,13,16)
InChIKey
ZOEZLUKBZMSQHW-UHFFFAOYSA-N
Compound name
1-carbamoyl-3-methyl-1-(2-methyl-1,3-benzodioxol-5-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

251.0906 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 252.09788 156.8
[M+Na]+ 274.07982 164.3
[M+NH4]+ 269.12442 162.7
[M+K]+ 290.05376 164.1
[M-H]- 250.08332 160.7
[M+Na-2H]- 272.06527 158.2
[M]+ 251.09005 158.4
[M]- 251.09115 158.4
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.