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 178.2
[M+Na]+ 387.06786 186.1
[M-H]- 363.07136 184.1
[M+NH4]+ 382.11246 194.8
[M+K]+ 403.04180 173.6
[M+H-H2O]+ 347.07590 175.5
[M+HCOO]- 409.07684 198.7
[M+CH3COO]- 423.09249 215.9
[M+Na-2H]- 385.05331 183.9
[M]+ 364.07809 198.4
[M]- 364.07919 198.4
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.