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

3
Patents

304.02112 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 305.028396 160.9
[M+Na]+ 327.010338 170.2
[M-H]- 303.013844 169.8
[M+NH4]+ 322.054943 178.7
[M+K]+ 342.984278 157.9
[M+H-H2O]+ 287.018380 158.6
[M+HCOO]- 349.019321 183.8
[M+CH3COO]- 363.034971 203.9
[M+Na-2H]- 324.995786 167.5
[M]+ 304.02057142 177.7
[M]- 304.02166858 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