CID 454820

139394-04-0

Structural Information

Molecular Formula
C16H16N2O3
SMILES
CCC1=C(NC(=O)C(=C1)OCC2=NC3=CC=CC=C3O2)C
InChI
InChI=1S/C16H16N2O3/c1-3-11-8-14(16(19)17-10(11)2)20-9-15-18-12-6-4-5-7-13(12)21-15/h4-8H,3,9H2,1-2H3,(H,17,19)
InChIKey
ZEXDHQKXYJUHQY-UHFFFAOYSA-N
Compound name
3-(1,3-benzoxazol-2-ylmethoxy)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

7
Patents

284.1161 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 285.12338 164.0
[M+Na]+ 307.10532 175.5
[M-H]- 283.10882 169.6
[M+NH4]+ 302.14992 178.4
[M+K]+ 323.07926 171.2
[M+H-H2O]+ 267.11336 155.7
[M+HCOO]- 329.11430 185.3
[M+CH3COO]- 343.12995 176.7
[M+Na-2H]- 305.09077 169.3
[M]+ 284.11555 169.6
[M]- 284.11665 169.6
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.