CID 2801552

Maybridge1_001952

Structural Information

Molecular Formula
C15H15NO7
SMILES
CCCC1=CC(=C(C2=C1OC(=CC2=O)C(=O)OCC)O)[N+](=O)[O-]
InChI
InChI=1S/C15H15NO7/c1-3-5-8-6-9(16(20)21)13(18)12-10(17)7-11(23-14(8)12)15(19)22-4-2/h6-7,18H,3-5H2,1-2H3
InChIKey
BZDOLPWPMDFJKS-UHFFFAOYSA-N
Compound name
ethyl 5-hydroxy-6-nitro-4-oxo-8-propylchromene-2-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

321.08484 Da
Monoisotopic Mass

3.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.09212 168.4
[M+Na]+ 344.07406 176.7
[M-H]- 320.07756 173.1
[M+NH4]+ 339.11866 181.3
[M+K]+ 360.04800 171.5
[M+H-H2O]+ 304.08210 166.0
[M+HCOO]- 366.08304 189.6
[M+CH3COO]- 380.09869 200.8
[M+Na-2H]- 342.05951 174.4
[M]+ 321.08429 173.7
[M]- 321.08539 173.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.