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]+ 349.175796 182.3
[M+Na]+ 371.157738 187.1
[M-H]- 347.161244 186.5
[M+NH4]+ 366.202343 194.0
[M+K]+ 387.131678 187.1
[M+H-H2O]+ 331.165780 173.6
[M+HCOO]- 393.166721 199.6
[M+CH3COO]- 407.182371 220.4
[M+Na-2H]- 369.143186 183.4
[M]+ 348.16797142 187.9
[M]- 348.16906858 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.