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 157.1
[M+Na]+ 274.07982 163.3
[M-H]- 250.08332 164.1
[M+NH4]+ 269.12442 173.8
[M+K]+ 290.05376 165.2
[M+H-H2O]+ 234.08786 150.5
[M+HCOO]- 296.08880 180.3
[M+CH3COO]- 310.10445 202.5
[M+Na-2H]- 272.06527 161.3
[M]+ 251.09005 158.7
[M]- 251.09115 158.7
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.