CID 6448477

139193-88-7

Structural Information

Molecular Formula
C19H24N2O
SMILES
CC1=NOC(=C1)/C=C/C2=CC=CC=C2CCN3CCCCC3
InChI
InChI=1S/C19H24N2O/c1-16-15-19(22-20-16)10-9-17-7-3-4-8-18(17)11-14-21-12-5-2-6-13-21/h3-4,7-10,15H,2,5-6,11-14H2,1H3/b10-9+
InChIKey
FMRWNHZHAMFHCJ-MDZDMXLPSA-N
Compound name
3-methyl-5-[(E)-2-[2-(2-piperidin-1-ylethyl)phenyl]ethenyl]-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.18887 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.196146 173.4
[M+Na]+ 319.178088 178.3
[M-H]- 295.181594 179.8
[M+NH4]+ 314.222693 185.9
[M+K]+ 335.152028 173.9
[M+H-H2O]+ 279.186130 163.2
[M+HCOO]- 341.187071 190.7
[M+CH3COO]- 355.202721 183.2
[M+Na-2H]- 317.163536 174.3
[M]+ 296.18832142 171.0
[M]- 296.18941858 171.0
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.