CID 370192

Nsc642933

Structural Information

Molecular Formula
C14H12N2O5
SMILES
CCOC(=O)C1=NC2=C(C=C(C=C2)[N+](=O)[O-])C3=C1CCO3
InChI
InChI=1S/C14H12N2O5/c1-2-20-14(17)12-9-5-6-21-13(9)10-7-8(16(18)19)3-4-11(10)15-12/h3-4,7H,2,5-6H2,1H3
InChIKey
SPIVIUJJRXFLFG-UHFFFAOYSA-N
Compound name
ethyl 8-nitro-2,3-dihydrofuro[3,2-c]quinoline-4-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.07462 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.08190 161.2
[M+Na]+ 311.06384 168.4
[M-H]- 287.06734 166.2
[M+NH4]+ 306.10844 176.9
[M+K]+ 327.03778 163.0
[M+H-H2O]+ 271.07188 158.7
[M+HCOO]- 333.07282 181.4
[M+CH3COO]- 347.08847 195.0
[M+Na-2H]- 309.04929 168.8
[M]+ 288.07407 163.3
[M]- 288.07517 163.3
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.