CID 3025316

Urea, 1-(2-bromoethyl)-3-(4-propoxy-1-naphthylmethyl)-

Structural Information

Molecular Formula
C17H21BrN2O2
SMILES
CCCOC1=CC=C(C2=CC=CC=C21)CNC(=O)NCCBr
InChI
InChI=1S/C17H21BrN2O2/c1-2-11-22-16-8-7-13(12-20-17(21)19-10-9-18)14-5-3-4-6-15(14)16/h3-8H,2,9-12H2,1H3,(H2,19,20,21)
InChIKey
RSSNMWKQCGCQAF-UHFFFAOYSA-N
Compound name
1-(2-bromoethyl)-3-[(4-propoxynaphthalen-1-yl)methyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.07864 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.08592 177.9
[M+Na]+ 387.06786 179.6
[M+NH4]+ 382.11246 181.7
[M+K]+ 403.04180 178.1
[M-H]- 363.07136 179.4
[M+Na-2H]- 385.05331 179.9
[M]+ 364.07809 177.2
[M]- 364.07919 177.2
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.