CID 11279034

287935-37-9

Structural Information

Molecular Formula
C18H23NO5
SMILES
CCOC(=O)CCCCCCCN1C(=O)C2=CC=CC=C2OC1=O
InChI
InChI=1S/C18H23NO5/c1-2-23-16(20)12-6-4-3-5-9-13-19-17(21)14-10-7-8-11-15(14)24-18(19)22/h7-8,10-11H,2-6,9,12-13H2,1H3
InChIKey
TVGHIGDQGYWONS-UHFFFAOYSA-N
Compound name
ethyl 8-(2,4-dioxo-1,3-benzoxazin-3-yl)octanoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

12
Patents

333.15762 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.164896 177.1
[M+Na]+ 356.146838 185.0
[M-H]- 332.150344 180.6
[M+NH4]+ 351.191443 189.5
[M+K]+ 372.120778 182.6
[M+H-H2O]+ 316.154880 168.5
[M+HCOO]- 378.155821 196.7
[M+CH3COO]- 392.171471 210.3
[M+Na-2H]- 354.132286 181.3
[M]+ 333.15707142 185.6
[M]- 333.15816858 185.6
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

patents stripe