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]+ 301.191056 174.7
[M+Na]+ 323.172998 180.9
[M-H]- 299.176504 181.7
[M+NH4]+ 318.217603 189.4
[M+K]+ 339.146938 178.8
[M+H-H2O]+ 283.181040 165.8
[M+HCOO]- 345.181981 198.4
[M+CH3COO]- 359.197631 209.6
[M+Na-2H]- 321.158446 177.0
[M]+ 300.18323142 180.4
[M]- 300.18432858 180.4
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.