CID 9570860

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

Structural Information

Molecular Formula
C17H25N3O3
SMILES
CCN(CC)CCO/N=C(\C)/C1=CC2=C(C=C1)OCC(=O)N2C
InChI
InChI=1S/C17H25N3O3/c1-5-20(6-2)9-10-23-18-13(3)14-7-8-16-15(11-14)19(4)17(21)12-22-16/h7-8,11H,5-6,9-10,12H2,1-4H3/b18-13+
InChIKey
VPCIHXMYBSVPFI-QGOAFFKASA-N
Compound name
6-[(E)-N-[2-(diethylamino)ethoxy]-C-methylcarbonimidoyl]-4-methyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

319.1896 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.196876 178.3
[M+Na]+ 342.178818 183.4
[M-H]- 318.182324 183.9
[M+NH4]+ 337.223423 191.9
[M+K]+ 358.152758 183.2
[M+H-H2O]+ 302.186860 169.1
[M+HCOO]- 364.187801 198.9
[M+CH3COO]- 378.203451 220.4
[M+Na-2H]- 340.164266 181.5
[M]+ 319.18905142 183.0
[M]- 319.19014858 183.0
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.