CID 9817231

Pd 144418

Structural Information

Molecular Formula
C18H22N2O
SMILES
CCCN1CCC=C(C1)C2=CC(=NO2)C3=CC=C(C=C3)C
InChI
InChI=1S/C18H22N2O/c1-3-10-20-11-4-5-16(13-20)18-12-17(19-21-18)15-8-6-14(2)7-9-15/h5-9,12H,3-4,10-11,13H2,1-2H3
InChIKey
FOQRKFCLRMMKAT-UHFFFAOYSA-N
Compound name
3-(4-methylphenyl)-5-(1-propyl-3,6-dihydro-2H-pyridin-5-yl)-1,2-oxazole
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

17
References

15
Patents

282.17322 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.18050 168.4
[M+Na]+ 305.16244 175.4
[M-H]- 281.16594 175.8
[M+NH4]+ 300.20704 181.9
[M+K]+ 321.13638 171.5
[M+H-H2O]+ 265.17048 158.7
[M+HCOO]- 327.17142 187.3
[M+CH3COO]- 341.18707 179.5
[M+Na-2H]- 303.14789 170.2
[M]+ 282.17267 168.3
[M]- 282.17377 168.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe