CID 131887

135525-70-1

Structural Information

Molecular Formula
C16H17N3O2
SMILES
CCC1=C(NC(=O)C(=C1)NCC2=NC3=CC=CC=C3O2)C
InChI
InChI=1S/C16H17N3O2/c1-3-11-8-13(16(20)18-10(11)2)17-9-15-19-12-6-4-5-7-14(12)21-15/h4-8,17H,3,9H2,1-2H3,(H,18,20)
InChIKey
HXVYWXSMFWAGFQ-UHFFFAOYSA-N
Compound name
3-(1,3-benzoxazol-2-ylmethylamino)-5-ethyl-6-methyl-1H-pyridin-2-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

7
References

19
Patents

283.13208 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.13936 165.1
[M+Na]+ 306.12130 175.9
[M-H]- 282.12480 170.7
[M+NH4]+ 301.16590 179.4
[M+K]+ 322.09524 170.9
[M+H-H2O]+ 266.12934 156.6
[M+HCOO]- 328.13028 187.3
[M+CH3COO]- 342.14593 177.4
[M+Na-2H]- 304.10675 171.0
[M]+ 283.13153 168.7
[M]- 283.13263 168.7
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