CID 454415

Bdbm1325

Structural Information

Molecular Formula
C16H17N3O3
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=NC3=C(C=CC=C3O2)O)C
InChI
InChI=1S/C16H17N3O3/c1-3-10-7-11(16(21)18-9(10)2)17-8-14-19-15-12(20)5-4-6-13(15)22-14/h4-7,17,20H,3,8H2,1-2H3,(H,18,21)
InChIKey
FGTZYHIGSDDIAK-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(4-hydroxy-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

299.12698 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 300.13426 168.9
[M+Na]+ 322.11620 179.9
[M-H]- 298.11970 173.5
[M+NH4]+ 317.16080 182.0
[M+K]+ 338.09014 174.8
[M+H-H2O]+ 282.12424 160.7
[M+HCOO]- 344.12518 189.7
[M+CH3COO]- 358.14083 180.6
[M+Na-2H]- 320.10165 173.7
[M]+ 299.12643 172.5
[M]- 299.12753 172.5
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.