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 182.3
[M+Na]+ 371.15774 187.1
[M-H]- 347.16124 186.5
[M+NH4]+ 366.20234 194.0
[M+K]+ 387.13168 187.1
[M+H-H2O]+ 331.16578 173.6
[M+HCOO]- 393.16672 199.6
[M+CH3COO]- 407.18237 220.4
[M+Na-2H]- 369.14319 183.4
[M]+ 348.16797 187.9
[M]- 348.16907 187.9
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.