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]+ 370.09212 183.9
[M+Na]+ 392.07406 191.1
[M-H]- 368.07756 193.2
[M+NH4]+ 387.11866 196.4
[M+K]+ 408.04800 186.1
[M+H-H2O]+ 352.08210 180.6
[M+HCOO]- 414.08304 207.5
[M+CH3COO]- 428.09869 209.6
[M+Na-2H]- 390.05951 188.4
[M]+ 369.08429 190.4
[M]- 369.08539 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.