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]+ 312.170676 175.1
[M+Na]+ 334.152618 185.8
[M-H]- 310.156124 180.7
[M+NH4]+ 329.197223 188.5
[M+K]+ 350.126558 180.4
[M+H-H2O]+ 294.160660 166.4
[M+HCOO]- 356.161601 196.5
[M+CH3COO]- 370.177251 186.8
[M+Na-2H]- 332.138066 179.1
[M]+ 311.16285142 179.8
[M]- 311.16394858 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.