CID 9570861

2h-1,4-benzoxazin-3(4h)-one, 4-methyl-6-(1-((2-(4-morpholinyl)ethoxy)imino)ethyl)-

Structural Information

Molecular Formula
C17H23N3O4
SMILES
C/C(=N\OCCN1CCOCC1)/C2=CC3=C(C=C2)OCC(=O)N3C
InChI
InChI=1S/C17H23N3O4/c1-13(18-24-10-7-20-5-8-22-9-6-20)14-3-4-16-15(11-14)19(2)17(21)12-23-16/h3-4,11H,5-10,12H2,1-2H3/b18-13+
InChIKey
DGPTYCKDLNJNRT-QGOAFFKASA-N
Compound name
4-methyl-6-[(E)-C-methyl-N-(2-morpholin-4-ylethoxy)carbonimidoyl]-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

333.16885 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.176126 180.4
[M+Na]+ 356.158068 184.5
[M-H]- 332.161574 186.3
[M+NH4]+ 351.202673 189.5
[M+K]+ 372.132008 184.1
[M+H-H2O]+ 316.166110 169.7
[M+HCOO]- 378.167051 194.3
[M+CH3COO]- 392.182701 214.4
[M+Na-2H]- 354.143516 183.8
[M]+ 333.16830142 180.1
[M]- 333.16939858 180.1
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.