CID 454414

Bdbm1324

Structural Information

Molecular Formula
C17H19N3O3
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=NC3=C(O2)C=CC=C3OC)C
InChI
InChI=1S/C17H19N3O3/c1-4-11-8-12(17(21)19-10(11)2)18-9-15-20-16-13(22-3)6-5-7-14(16)23-15/h5-8,18H,4,9H2,1-3H3,(H,19,21)
InChIKey
JHOYPXHAYKICQN-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(4-methoxy-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

313.14264 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 314.14992 173.2
[M+Na]+ 336.13186 184.2
[M-H]- 312.13536 179.0
[M+NH4]+ 331.17646 186.4
[M+K]+ 352.10580 179.7
[M+H-H2O]+ 296.13990 164.6
[M+HCOO]- 358.14084 195.2
[M+CH3COO]- 372.15649 207.7
[M+Na-2H]- 334.11731 177.9
[M]+ 313.14209 179.0
[M]- 313.14319 179.0
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.