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 196.5
[M-H]- 361.19215 201.0
[M+NH4]+ 380.23325 202.7
[M+K]+ 401.16259 192.7
[M+H-H2O]+ 345.19669 180.6
[M+HCOO]- 407.19763 214.5
[M+CH3COO]- 421.21328 220.3
[M+Na-2H]- 383.17410 192.9
[M]+ 362.19888 195.9
[M]- 362.19998 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.