CID 4169826

1-(4-bromophenyl)-3-propylurea

Structural Information

Molecular Formula
C10H13BrN2O
SMILES
CCCNC(=O)NC1=CC=C(C=C1)Br
InChI
InChI=1S/C10H13BrN2O/c1-2-7-12-10(14)13-9-5-3-8(11)4-6-9/h3-6H,2,7H2,1H3,(H2,12,13,14)
InChIKey
MLXAANBYULLOSS-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-propylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.02112 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.028396 149.2
[M+Na]+ 279.010338 158.4
[M-H]- 255.013844 155.1
[M+NH4]+ 274.054943 169.1
[M+K]+ 294.984278 146.9
[M+H-H2O]+ 239.018380 147.6
[M+HCOO]- 301.019321 172.0
[M+CH3COO]- 315.034971 195.5
[M+Na-2H]- 276.995786 156.1
[M]+ 256.02057142 166.6
[M]- 256.02166858 166.6
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.