CID 4530281

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

Structural Information

Molecular Formula
C15H14BrN3O2
SMILES
CC(=O)NC1=CC=C(C=C1)NC(=O)NC2=CC=C(C=C2)Br
InChI
InChI=1S/C15H14BrN3O2/c1-10(20)17-12-6-8-14(9-7-12)19-15(21)18-13-4-2-11(16)3-5-13/h2-9H,1H3,(H,17,20)(H2,18,19,21)
InChIKey
NSLBFNOXPLOUBN-UHFFFAOYSA-N
Compound name
N-[4-[(4-bromophenyl)carbamoylamino]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

347.02695 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.03423 170.4
[M+Na]+ 370.01617 178.0
[M-H]- 346.01967 179.0
[M+NH4]+ 365.06077 185.8
[M+K]+ 385.99011 165.9
[M+H-H2O]+ 330.02421 166.8
[M+HCOO]- 392.02515 193.1
[M+CH3COO]- 406.04080 213.1
[M+Na-2H]- 368.00162 175.7
[M]+ 347.02640 186.6
[M]- 347.02750 186.6
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

patents stripe