CID 454837

Chembl177192

Structural Information

Molecular Formula
C17H19N3O2
SMILES
CC1=C(C=C(C(=O)N1)CCC2=NC3=CC=CC=C3O2)N(C)C
InChI
InChI=1S/C17H19N3O2/c1-11-14(20(2)3)10-12(17(21)18-11)8-9-16-19-13-6-4-5-7-15(13)22-16/h4-7,10H,8-9H2,1-3H3,(H,18,21)
InChIKey
GPSNMPYGCMJZDS-UHFFFAOYSA-N
Compound name
3-[2-(1,3-benzoxazol-2-yl)ethyl]-5-(dimethylamino)-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

297.14774 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.15502 170.0
[M+Na]+ 320.13696 180.4
[M-H]- 296.14046 176.8
[M+NH4]+ 315.18156 184.3
[M+K]+ 336.11090 176.6
[M+H-H2O]+ 280.14500 161.1
[M+HCOO]- 342.14594 192.3
[M+CH3COO]- 356.16159 182.3
[M+Na-2H]- 318.12241 174.6
[M]+ 297.14719 175.1
[M]- 297.14829 175.1
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.