CID 56182

Brn 4559676

Structural Information

Molecular Formula
C18H24N2O5
SMILES
CCN(CC)CCOC(=O)CN1C(=O)COC2=C1C=C(C=C2)C(=O)C
InChI
InChI=1S/C18H24N2O5/c1-4-19(5-2)8-9-24-18(23)11-20-15-10-14(13(3)21)6-7-16(15)25-12-17(20)22/h6-7,10H,4-5,8-9,11-12H2,1-3H3
InChIKey
MXDDMLBNZIATSF-UHFFFAOYSA-N
Compound name
2-(diethylamino)ethyl 2-(6-acetyl-3-oxo-1,4-benzoxazin-4-yl)acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

348.16852 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 349.17580 181.5
[M+Na]+ 371.15774 190.9
[M+NH4]+ 366.20234 186.1
[M+K]+ 387.13168 186.7
[M-H]- 347.16124 182.8
[M+Na-2H]- 369.14319 182.7
[M]+ 348.16797 182.8
[M]- 348.16907 182.8
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.