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]+ 297.19615 173.4
[M+Na]+ 319.17809 178.3
[M-H]- 295.18159 179.8
[M+NH4]+ 314.22269 185.9
[M+K]+ 335.15203 173.9
[M+H-H2O]+ 279.18613 163.2
[M+HCOO]- 341.18707 190.7
[M+CH3COO]- 355.20272 183.2
[M+Na-2H]- 317.16354 174.3
[M]+ 296.18832 171.0
[M]- 296.18942 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.