CID 5075527

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

Structural Information

Molecular Formula
C17H13BrN2O
SMILES
C1=CC=C2C(=C1)C=CC=C2NC(=O)NC3=CC=C(C=C3)Br
InChI
InChI=1S/C17H13BrN2O/c18-13-8-10-14(11-9-13)19-17(21)20-16-7-3-5-12-4-1-2-6-15(12)16/h1-11H,(H2,19,20,21)
InChIKey
UVTMXZWZBDRRMD-UHFFFAOYSA-N
Compound name
1-(4-bromophenyl)-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

340.02112 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.02840 170.0
[M+Na]+ 363.01034 179.0
[M-H]- 339.01384 179.4
[M+NH4]+ 358.05494 187.1
[M+K]+ 378.98428 166.2
[M+H-H2O]+ 323.01838 167.5
[M+HCOO]- 385.01932 191.6
[M+CH3COO]- 399.03497 182.7
[M+Na-2H]- 360.99579 178.1
[M]+ 340.02057 186.6
[M]- 340.02167 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