CID 3057098

1-(p-anisyl)-3-(2-bromoethyl)urea

Structural Information

Molecular Formula
C10H13BrN2O2
SMILES
COC1=CC=C(C=C1)NC(=O)NCCBr
InChI
InChI=1S/C10H13BrN2O2/c1-15-9-4-2-8(3-5-9)13-10(14)12-7-6-11/h2-5H,6-7H2,1H3,(H2,12,13,14)
InChIKey
UNBVAZRRTCJETG-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-(4-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

272.01605 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 273.02333 151.6
[M+Na]+ 295.00527 160.5
[M-H]- 271.00877 157.3
[M+NH4]+ 290.04987 170.7
[M+K]+ 310.97921 149.5
[M+H-H2O]+ 255.01331 149.6
[M+HCOO]- 317.01425 174.5
[M+CH3COO]- 331.02990 197.5
[M+Na-2H]- 292.99072 158.5
[M]+ 272.01550 170.2
[M]- 272.01660 170.2
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.