CID 1535234

300557-41-9

Structural Information

Molecular Formula
C19H15NO7
SMILES
CCOC(=O)C1=C(OC2=C1C=C(C=C2)OC(=O)C3=CC=C(C=C3)[N+](=O)[O-])C
InChI
InChI=1S/C19H15NO7/c1-3-25-19(22)17-11(2)26-16-9-8-14(10-15(16)17)27-18(21)12-4-6-13(7-5-12)20(23)24/h4-10H,3H2,1-2H3
InChIKey
ZBGRXJOCVOHUCF-UHFFFAOYSA-N
Compound name
ethyl 2-methyl-5-(4-nitrobenzoyl)oxy-1-benzofuran-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.08484 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.092116 183.9
[M+Na]+ 392.074058 191.1
[M-H]- 368.077564 193.2
[M+NH4]+ 387.118663 196.4
[M+K]+ 408.047998 186.1
[M+H-H2O]+ 352.082100 180.6
[M+HCOO]- 414.083041 207.5
[M+CH3COO]- 428.098691 209.6
[M+Na-2H]- 390.059506 188.4
[M]+ 369.08429142 190.4
[M]- 369.08538858 190.4
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.