CID 6448473

Ethanamine, n,n-diethyl-2-(2-(2-(3-methyl-5-isoxazolyl)ethenyl)phenoxy)-, monohydrochloride, (e)-

Structural Information

Molecular Formula
C18H24N2O2
SMILES
CCN(CC)CCOC1=CC=CC=C1/C=C/C2=CC(=NO2)C
InChI
InChI=1S/C18H24N2O2/c1-4-20(5-2)12-13-21-18-9-7-6-8-16(18)10-11-17-14-15(3)19-22-17/h6-11,14H,4-5,12-13H2,1-3H3/b11-10+
InChIKey
BUQMERKAPGECKT-ZHACJKMWSA-N
Compound name
N,N-diethyl-2-[2-[(E)-2-(3-methyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

300.18378 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 301.19106 174.2
[M+Na]+ 323.17300 186.2
[M+NH4]+ 318.21760 181.2
[M+K]+ 339.14694 180.7
[M-H]- 299.17650 179.1
[M+Na-2H]- 321.15845 180.4
[M]+ 300.18323 177.2
[M]- 300.18433 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.