CID 282507

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

Structural Information

Molecular Formula
C15H17BrN2O
SMILES
CCN(CCBr)C(=O)NC1=CC=CC2=CC=CC=C21
InChI
InChI=1S/C15H17BrN2O/c1-2-18(11-10-16)15(19)17-14-9-5-7-12-6-3-4-8-13(12)14/h3-9H,2,10-11H2,1H3,(H,17,19)
InChIKey
BYWUBEKONOINJV-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-1-ethyl-3-naphthalen-1-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

320.05243 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 321.05971 167.4
[M+Na]+ 343.04165 175.6
[M-H]- 319.04515 174.8
[M+NH4]+ 338.08625 186.1
[M+K]+ 359.01559 164.3
[M+H-H2O]+ 303.04969 165.1
[M+HCOO]- 365.05063 188.8
[M+CH3COO]- 379.06628 210.4
[M+Na-2H]- 341.02710 174.0
[M]+ 320.05188 186.5
[M]- 320.05298 186.5
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.