CID 379566

Nsc664251

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 167.2
[M+Na]+ 307.14169 180.0
[M+NH4]+ 302.18629 175.6
[M+K]+ 323.11563 174.7
[M-H]- 283.14519 172.9
[M+Na-2H]- 305.12714 173.8
[M]+ 284.15192 170.6
[M]- 284.15302 170.6
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.