CID 6446221

Brn 1511902

Structural Information

Molecular Formula
C16H9N3O7
SMILES
C1=CC2=C(C(=C(C=C2)[N+](=O)[O-])OC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-])N=C1
InChI
InChI=1S/C16H9N3O7/c20-14(8-5-11-4-7-13(25-11)19(23)24)26-16-12(18(21)22)6-3-10-2-1-9-17-15(10)16/h1-9H/b8-5+
InChIKey
DCUFEGRCGBTZEW-VMPITWQZSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-3-(5-nitrofuran-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

355.04404 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 356.05132 179.5
[M+Na]+ 378.03326 185.0
[M-H]- 354.03676 187.0
[M+NH4]+ 373.07786 189.3
[M+K]+ 394.00720 174.8
[M+H-H2O]+ 338.04130 179.3
[M+HCOO]- 400.04224 203.3
[M+CH3COO]- 414.05789 199.2
[M+Na-2H]- 376.01871 188.9
[M]+ 355.04349 180.6
[M]- 355.04459 180.6
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.