CID 239940

1-(4-bromophenyl)-3-furfurylurea

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 160.0
[M+Na]+ 316.98962 169.4
[M-H]- 292.99312 169.7
[M+NH4]+ 312.03422 178.6
[M+K]+ 332.96356 159.0
[M+H-H2O]+ 276.99766 158.1
[M+HCOO]- 338.99860 183.7
[M+CH3COO]- 353.01425 199.0
[M+Na-2H]- 314.97507 166.7
[M]+ 293.99985 178.4
[M]- 294.00095 178.4
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.