CID 239940

1-(4-bromophenyl)-3-(furan-2-ylmethyl)urea

Structural Information

Molecular Formula
C12H11BrN2O2
SMILES
C1=COC(=C1)CNC(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C12H11BrN2O2/c13-9-3-5-10(6-4-9)15-12(16)14-8-11-2-1-7-17-11/h1-7H,8H2,(H2,14,15,16)
InChIKey
QRMKXNMMUOELHP-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-(furan-2-ylmethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

294.0004 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 295.00768 161.8
[M+Na]+ 316.98962 163.6
[M+NH4]+ 312.03422 165.9
[M+K]+ 332.96356 165.1
[M-H]- 292.99312 165.2
[M+Na-2H]- 314.97507 165.3
[M]+ 293.99985 161.7
[M]- 294.00095 161.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.