CID 454409

143708-05-8

Structural Information

Molecular Formula
C16H16FN3O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=NC3=C(O2)C=CC(=C3)F)C
InChI
InChI=1S/C16H16FN3O2/c1-3-10-6-13(16(21)19-9(10)2)18-8-15-20-12-7-11(17)4-5-14(12)22-15/h4-7,18H,3,8H2,1-2H3,(H,19,21)
InChIKey
SOGQCRCDBFCYGD-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(5-fluoro-1,3-benzoxazol-2-yl)methylamino]-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

301.12265 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12993 168.6
[M+Na]+ 324.11187 180.3
[M-H]- 300.11537 173.1
[M+NH4]+ 319.15647 182.3
[M+K]+ 340.08581 174.8
[M+H-H2O]+ 284.11991 159.3
[M+HCOO]- 346.12085 189.7
[M+CH3COO]- 360.13650 180.6
[M+Na-2H]- 322.09732 173.1
[M]+ 301.12210 171.6
[M]- 301.12320 171.6
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

No patent data available for this compound.