CID 3025306

1-(2-bromoethyl)-3-(4-chloro-1-naphthalenemethyl)urea

Structural Information

Molecular Formula
C14H14BrClN2O
SMILES
C1=CC=C2C(=C1)C(=CC=C2Cl)CNC(=O)NCCBr
InChI
InChI=1S/C14H14BrClN2O/c15-7-8-17-14(19)18-9-10-5-6-13(16)12-4-2-1-3-11(10)12/h1-6H,7-9H2,(H2,17,18,19)
InChIKey
PRJKCCJZFPPQPL-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-[(4-chloronaphthalen-1-yl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

339.9978 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 341.00508 167.5
[M+Na]+ 362.98702 171.1
[M+NH4]+ 358.03162 172.6
[M+K]+ 378.96096 168.9
[M-H]- 338.99052 169.6
[M+Na-2H]- 360.97247 170.9
[M]+ 339.99725 167.6
[M]- 339.99835 167.6
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

No patent data available for this compound.