CID 453443

135525-76-7

Structural Information

Molecular Formula
C17H19N3O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=NC3=CC=CC(=C3O2)C)C
InChI
InChI=1S/C17H19N3O2/c1-4-12-8-14(17(21)19-11(12)3)18-9-15-20-13-7-5-6-10(2)16(13)22-15/h5-8,18H,4,9H2,1-3H3,(H,19,21)
InChIKey
HASDKQMKEXOVJW-UHFFFAOYSA-N
Compound name
5-ethyl-6-methyl-3-[(7-methyl-1,3-benzoxazol-2-yl)methylamino]-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

9
Patents

297.14774 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 298.155016 170.5
[M+Na]+ 320.136958 181.7
[M-H]- 296.140464 176.3
[M+NH4]+ 315.181563 184.5
[M+K]+ 336.110898 176.5
[M+H-H2O]+ 280.145000 162.0
[M+HCOO]- 342.145941 192.3
[M+CH3COO]- 356.161591 182.6
[M+Na-2H]- 318.122406 175.1
[M]+ 297.14719142 174.8
[M]- 297.14828858 174.8
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

patents stripe