CID 453444

135560-40-6

Structural Information

Molecular Formula
C19H22N2O2
SMILES
CCC1=C(NC(=O)C(=C1)CCC2=NC3=C(C=CC(=C3O2)C)C)C
InChI
InChI=1S/C19H22N2O2/c1-5-14-10-15(19(22)20-13(14)4)8-9-16-21-17-11(2)6-7-12(3)18(17)23-16/h6-7,10H,5,8-9H2,1-4H3,(H,20,22)
InChIKey
XKSPCHATHZHOGY-UHFFFAOYSA-N
Compound name
3-[2-(4,7-dimethyl-1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

310.16812 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 311.17540 175.5
[M+Na]+ 333.15734 187.7
[M-H]- 309.16084 181.4
[M+NH4]+ 328.20194 189.7
[M+K]+ 349.13128 182.2
[M+H-H2O]+ 293.16538 167.4
[M+HCOO]- 355.16632 195.6
[M+CH3COO]- 369.18197 207.6
[M+Na-2H]- 331.14279 177.7
[M]+ 310.16757 181.6
[M]- 310.16867 181.6
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