CID 59143

2-(4-propoxy-1-naphthalenemethylamino)-2-oxazoline hydrobromide

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CCCOC1=CC=C(C2=CC=CC=C21)CNC3=NCCO3
InChI
InChI=1S/C17H20N2O2/c1-2-10-20-16-8-7-13(12-19-17-18-9-11-21-17)14-5-3-4-6-15(14)16/h3-8H,2,9-12H2,1H3,(H,18,19)
InChIKey
XEKGTVKEYMWYNL-UHFFFAOYSA-N
Compound name
N-[(4-propoxynaphthalen-1-yl)methyl]-4,5-dihydro-1,3-oxazol-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

284.15247 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.159746 165.9
[M+Na]+ 307.141688 172.6
[M-H]- 283.145194 172.5
[M+NH4]+ 302.186293 181.5
[M+K]+ 323.115628 169.4
[M+H-H2O]+ 267.149730 157.4
[M+HCOO]- 329.150671 187.7
[M+CH3COO]- 343.166321 177.5
[M+Na-2H]- 305.127136 171.5
[M]+ 284.15192142 168.1
[M]- 284.15301858 168.1
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.