CID 294178

Urea, 1-(2-bromoethyl)-3-(1,3-benzodioxol-5-yl)-

Structural Information

Molecular Formula
C10H11BrN2O3
SMILES
C1OC2=C(O1)C=C(C=C2)NC(=O)NCCBr
InChI
InChI=1S/C10H11BrN2O3/c11-3-4-12-10(14)13-7-1-2-8-9(5-7)16-6-15-8/h1-2,5H,3-4,6H2,(H2,12,13,14)
InChIKey
RDCOKGWXWNQHHF-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-3-(2-bromoethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

285.9953 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 287.00258 158.1
[M+Na]+ 308.98452 167.3
[M-H]- 284.98802 165.8
[M+NH4]+ 304.02912 176.7
[M+K]+ 324.95846 158.7
[M+H-H2O]+ 268.99256 156.8
[M+HCOO]- 330.99350 178.6
[M+CH3COO]- 345.00915 197.7
[M+Na-2H]- 306.96997 166.1
[M]+ 285.99475 177.5
[M]- 285.99585 177.5
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.