CID 454405

143708-04-7

Structural Information

Molecular Formula
C18H21N3O2
SMILES
CCC1=C2C(=CC=C1)N=C(O2)CNC3=CC(=C(NC3=O)C)CC
InChI
InChI=1S/C18H21N3O2/c1-4-12-7-6-8-14-17(12)23-16(21-14)10-19-15-9-13(5-2)11(3)20-18(15)22/h6-9,19H,4-5,10H2,1-3H3,(H,20,22)
InChIKey
NJWYTIGQFBHPLC-UHFFFAOYSA-N
Compound name
5-ethyl-3-[(7-ethyl-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

311.1634 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17068 175.1
[M+Na]+ 334.15262 185.8
[M-H]- 310.15612 180.7
[M+NH4]+ 329.19722 188.5
[M+K]+ 350.12656 180.4
[M+H-H2O]+ 294.16066 166.4
[M+HCOO]- 356.16160 196.5
[M+CH3COO]- 370.17725 186.8
[M+Na-2H]- 332.13807 179.1
[M]+ 311.16285 179.8
[M]- 311.16395 179.8
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

No patent data available for this compound.