CID 226664

6297-35-4

Structural Information

Molecular Formula
C17H19NO5
SMILES
CCOC(=O)C(=O)C1C2CC(N(C1=O)C)(OC3=CC=CC=C23)C
InChI
InChI=1S/C17H19NO5/c1-4-22-16(21)14(19)13-11-9-17(2,18(3)15(13)20)23-12-8-6-5-7-10(11)12/h5-8,11,13H,4,9H2,1-3H3
InChIKey
LVSHFNNPADHXDV-UHFFFAOYSA-N
Compound name
ethyl 2-(9,10-dimethyl-11-oxo-8-oxa-10-azatricyclo[7.3.1.02,7]trideca-2,4,6-trien-12-yl)-2-oxoacetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

317.1263 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 318.13358 170.2
[M+Na]+ 340.11552 177.6
[M-H]- 316.11902 172.9
[M+NH4]+ 335.16012 186.6
[M+K]+ 356.08946 176.5
[M+H-H2O]+ 300.12356 163.1
[M+HCOO]- 362.12450 182.6
[M+CH3COO]- 376.14015 209.7
[M+Na-2H]- 338.10097 174.8
[M]+ 317.12575 173.4
[M]- 317.12685 173.4
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