CID 361665

Nsc624883

Structural Information

Molecular Formula
C19H22O8
SMILES
CCOC(=O)COC1=C2C(=O)CCCC(=O)C2=C(C=C1)OCC(=O)OCC
InChI
InChI=1S/C19H22O8/c1-3-24-16(22)10-26-14-8-9-15(27-11-17(23)25-4-2)19-13(21)7-5-6-12(20)18(14)19/h8-9H,3-7,10-11H2,1-2H3
InChIKey
YQYSXMMGYNWGSF-UHFFFAOYSA-N
Compound name
ethyl 2-[[4-(2-ethoxy-2-oxoethoxy)-5,9-dioxo-7,8-dihydro-6H-benzo[7]annulen-1-yl]oxy]acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

378.13147 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 379.13875 177.3
[M+Na]+ 401.12069 181.5
[M-H]- 377.12419 182.4
[M+NH4]+ 396.16529 189.4
[M+K]+ 417.09463 186.3
[M+H-H2O]+ 361.12873 171.5
[M+HCOO]- 423.12967 195.3
[M+CH3COO]- 437.14532 217.9
[M+Na-2H]- 399.10614 177.6
[M]+ 378.13092 182.2
[M]- 378.13202 182.2
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.