CID 379566

2-(4-isopropoxy-1-naphthalenemethylamino)-2-oxazoline

Structural Information

Molecular Formula
C17H20N2O2
SMILES
CC(C)OC1=CC=C(C2=CC=CC=C21)CNC3=NCCO3
InChI
InChI=1S/C17H20N2O2/c1-12(2)21-16-8-7-13(11-19-17-18-9-10-20-17)14-5-3-4-6-15(14)16/h3-8,12H,9-11H2,1-2H3,(H,18,19)
InChIKey
PAXDSHJDFGCEQX-UHFFFAOYSA-N
Compound name
N-[(4-propan-2-yloxynaphthalen-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

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.15975 166.8
[M+Na]+ 307.14169 173.1
[M-H]- 283.14519 173.5
[M+NH4]+ 302.18629 182.3
[M+K]+ 323.11563 170.5
[M+H-H2O]+ 267.14973 158.4
[M+HCOO]- 329.15067 187.5
[M+CH3COO]- 343.16632 178.2
[M+Na-2H]- 305.12714 171.2
[M]+ 284.15192 168.4
[M]- 284.15302 168.4
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.