CID 6448526

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

Structural Information

Molecular Formula
C23H26N2O2
SMILES
CCN(CC)CCOC1=CC=CC=C1/C=C/C2=CC(=NO2)C3=CC=CC=C3
InChI
InChI=1S/C23H26N2O2/c1-3-25(4-2)16-17-26-23-13-9-8-12-20(23)14-15-21-18-22(24-27-21)19-10-6-5-7-11-19/h5-15,18H,3-4,16-17H2,1-2H3/b15-14+
InChIKey
VNAYONMMVQHCDC-CCEZHUSRSA-N
Compound name
N,N-diethyl-2-[2-[(E)-2-(3-phenyl-1,2-oxazol-5-yl)ethenyl]phenoxy]ethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.19943 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.20671 191.3
[M+Na]+ 385.18865 205.2
[M+NH4]+ 380.23325 198.6
[M+K]+ 401.16259 198.0
[M-H]- 361.19215 198.8
[M+Na-2H]- 383.17410 200.3
[M]+ 362.19888 195.5
[M]- 362.19998 195.5
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.