CID 16205694

2h-1,4-benzoxazin-3(4h)-one, 6-(1-(ethoxyimino)ethyl)-4-ethyl-

Structural Information

Molecular Formula
C14H18N2O3
SMILES
CCN1C(=O)COC2=C1C=C(C=C2)/C(=N/OCC)/C
InChI
InChI=1S/C14H18N2O3/c1-4-16-12-8-11(10(3)15-19-5-2)6-7-13(12)18-9-14(16)17/h6-8H,4-5,9H2,1-3H3/b15-10+
InChIKey
VIBDPVCGLVEDDK-XNTDXEJSSA-N
Compound name
6-[(E)-N-ethoxy-C-methylcarbonimidoyl]-4-ethyl-1,4-benzoxazin-3-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.13174 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.139016 159.9
[M+Na]+ 285.120958 167.2
[M-H]- 261.124464 164.8
[M+NH4]+ 280.165563 175.7
[M+K]+ 301.094898 166.3
[M+H-H2O]+ 245.129000 152.0
[M+HCOO]- 307.129941 180.1
[M+CH3COO]- 321.145591 202.9
[M+Na-2H]- 283.106406 165.1
[M]+ 262.13119142 163.2
[M]- 262.13228858 163.2
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.