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

11
Patents

333.15762 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 334.16490 177.1
[M+Na]+ 356.14684 185.0
[M-H]- 332.15034 180.6
[M+NH4]+ 351.19144 189.5
[M+K]+ 372.12078 182.6
[M+H-H2O]+ 316.15488 168.5
[M+HCOO]- 378.15582 196.7
[M+CH3COO]- 392.17147 210.3
[M+Na-2H]- 354.13229 181.3
[M]+ 333.15707 185.6
[M]- 333.15817 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