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

4
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 160.9
[M+Na]+ 327.01034 170.2
[M-H]- 303.01384 169.8
[M+NH4]+ 322.05494 178.7
[M+K]+ 342.98428 157.9
[M+H-H2O]+ 287.01838 158.6
[M+HCOO]- 349.01932 183.8
[M+CH3COO]- 363.03497 203.9
[M+Na-2H]- 324.99579 167.5
[M]+ 304.02057 177.7
[M]- 304.02167 177.7
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