CID 376986

Nsc658207

Structural Information

Molecular Formula
C20H15NO6
SMILES
CC(=O)OC1=CC2=C(C=C1)C3=C(C4=C(O3)C=C(C=C4)OC(=O)C)C(=O)N2C
InChI
InChI=1S/C20H15NO6/c1-10(22)25-12-4-6-14-16(8-12)21(3)20(24)18-15-7-5-13(26-11(2)23)9-17(15)27-19(14)18/h4-9H,1-3H3
InChIKey
HJSHQPIYJRZKHO-UHFFFAOYSA-N
Compound name
(9-acetyloxy-5-methyl-6-oxo-[1]benzofuro[3,2-c]quinolin-3-yl) acetate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.08994 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.09722 181.5
[M+Na]+ 388.07916 194.5
[M-H]- 364.08266 189.4
[M+NH4]+ 383.12376 196.7
[M+K]+ 404.05310 192.3
[M+H-H2O]+ 348.08720 173.9
[M+HCOO]- 410.08814 202.2
[M+CH3COO]- 424.10379 217.9
[M+Na-2H]- 386.06461 186.3
[M]+ 365.08939 193.4
[M]- 365.09049 193.4
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

No patent data available for this compound.