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]+ 363.206706 191.3
[M+Na]+ 385.188648 196.5
[M-H]- 361.192154 201.0
[M+NH4]+ 380.233253 202.7
[M+K]+ 401.162588 192.7
[M+H-H2O]+ 345.196690 180.6
[M+HCOO]- 407.197631 214.5
[M+CH3COO]- 421.213281 220.3
[M+Na-2H]- 383.174096 192.9
[M]+ 362.19888142 195.9
[M]- 362.19997858 195.9
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.