CID 72352

135525-71-2

Structural Information

Molecular Formula
C17H18N2O2
SMILES
CCC1=C(NC(=O)C(=C1)CCC2=NC3=CC=CC=C3O2)C
InChI
InChI=1S/C17H18N2O2/c1-3-12-10-13(17(20)18-11(12)2)8-9-16-19-14-6-4-5-7-15(14)21-16/h4-7,10H,3,8-9H2,1-2H3,(H,18,20)
InChIKey
MHUVLRNBDLFMHQ-UHFFFAOYSA-N
Compound name
3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

104
Patents

282.13684 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.14412 165.7
[M+Na]+ 305.12606 177.0
[M-H]- 281.12956 171.1
[M+NH4]+ 300.17066 180.4
[M+K]+ 321.10000 171.8
[M+H-H2O]+ 265.13410 157.4
[M+HCOO]- 327.13504 186.5
[M+CH3COO]- 341.15069 178.1
[M+Na-2H]- 303.11151 170.4
[M]+ 282.13629 170.3
[M]- 282.13739 170.3
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