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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.