CID 3260095

N-(4-bromo-3-methylphenyl)-n'-phenylurea

Structural Information

Molecular Formula
C14H13BrN2O
SMILES
CC1=C(C=CC(=C1)NC(=O)NC2=CC=CC=C2)Br
InChI
InChI=1S/C14H13BrN2O/c1-10-9-12(7-8-13(10)15)17-14(18)16-11-5-3-2-4-6-11/h2-9H,1H3,(H2,16,17,18)
InChIKey
YABXNSWIECGTEF-UHFFFAOYSA-N
Compound name
1-(4-bromo-3-methylphenyl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

6
Patents

304.02112 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.02840 159.9
[M+Na]+ 327.01034 163.7
[M+NH4]+ 322.05494 164.7
[M+K]+ 342.98428 162.5
[M-H]- 303.01384 163.5
[M+Na-2H]- 324.99579 165.7
[M]+ 304.02057 160.3
[M]- 304.02167 160.3
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

patents stripe