CID 376988

Nsc658209

Structural Information

Molecular Formula
C21H17NO6
SMILES
CCN1C2=C(C=CC(=C2)OC(=O)C)C3=C(C1=O)C4=C(O3)C=CC(=C4)OC(=O)C
InChI
InChI=1S/C21H17NO6/c1-4-22-17-10-14(27-12(3)24)5-7-15(17)20-19(21(22)25)16-9-13(26-11(2)23)6-8-18(16)28-20/h5-10H,4H2,1-3H3
InChIKey
VGNDNKIDFQSNDT-UHFFFAOYSA-N
Compound name
(3-acetyloxy-5-ethyl-6-oxo-[1]benzofuro[3,2-c]quinolin-8-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

379.1056 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 380.11288 186.4
[M+Na]+ 402.09482 198.9
[M-H]- 378.09832 194.0
[M+NH4]+ 397.13942 201.0
[M+K]+ 418.06876 196.5
[M+H-H2O]+ 362.10286 178.5
[M+HCOO]- 424.10380 206.7
[M+CH3COO]- 438.11945 220.8
[M+Na-2H]- 400.08027 190.7
[M]+ 379.10505 198.6
[M]- 379.10615 198.6
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

No patent data available for this compound.