CID 4569723

1-benzyl-3-(4-bromophenyl)urea

Structural Information

Molecular Formula
C14H13BrN2O
SMILES
C1=CC=C(C=C1)CNC(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C14H13BrN2O/c15-12-6-8-13(9-7-12)17-14(18)16-10-11-4-2-1-3-5-11/h1-9H,10H2,(H2,16,17,18)
InChIKey
BTYUPTJAFCJIHQ-UHFFFAOYSA-N
Compound name
1-benzyl-3-(4-bromophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

304.02112 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.02840 160.8
[M+Na]+ 327.01034 169.2
[M-H]- 303.01384 169.3
[M+NH4]+ 322.05494 178.3
[M+K]+ 342.98428 156.9
[M+H-H2O]+ 287.01838 158.4
[M+HCOO]- 349.01932 183.7
[M+CH3COO]- 363.03497 202.8
[M+Na-2H]- 324.99579 168.1
[M]+ 304.02057 177.2
[M]- 304.02167 177.2
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

patents stripe