CID 3025308

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

Structural Information

Molecular Formula
C15H17BrN2O2
SMILES
CCOC1=C(C2=CC=CC=C2C=C1)NC(=O)NCCBr
InChI
InChI=1S/C15H17BrN2O2/c1-2-20-13-8-7-11-5-3-4-6-12(11)14(13)18-15(19)17-10-9-16/h3-8H,2,9-10H2,1H3,(H2,17,18,19)
InChIKey
UHRBGPMASDLVQW-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-(2-ethoxynaphthalen-1-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

336.04733 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 337.05461 168.7
[M+Na]+ 359.03655 170.9
[M+NH4]+ 354.08115 172.9
[M+K]+ 375.01049 169.8
[M-H]- 335.04005 170.3
[M+Na-2H]- 357.02200 171.4
[M]+ 336.04678 168.2
[M]- 336.04788 168.2
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.