CID 282508

Urea, 1-(2-bromoethyl)-3-(2-(1-naphthyl)ethyl)-

Structural Information

Molecular Formula
C15H17BrN2O
SMILES
C1=CC=C2C(=C1)C=CC=C2CCNC(=O)NCCBr
InChI
InChI=1S/C15H17BrN2O/c16-9-11-18-15(19)17-10-8-13-6-3-5-12-4-1-2-7-14(12)13/h1-7H,8-11H2,(H2,17,18,19)
InChIKey
MCBJTMUMVUJPLO-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-(2-naphthalen-1-ylethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.05243 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05971 166.5
[M+Na]+ 343.04165 174.6
[M-H]- 319.04515 172.5
[M+NH4]+ 338.08625 184.7
[M+K]+ 359.01559 162.0
[M+H-H2O]+ 303.04969 164.4
[M+HCOO]- 365.05063 187.5
[M+CH3COO]- 379.06628 207.3
[M+Na-2H]- 341.02710 173.9
[M]+ 320.05188 184.4
[M]- 320.05298 184.4
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.