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 178.0
[M+Na]+ 378.03326 192.0
[M+NH4]+ 373.07786 183.1
[M+K]+ 394.00720 193.7
[M-H]- 354.03676 183.5
[M+Na-2H]- 376.01871 183.1
[M]+ 355.04349 181.1
[M]- 355.04459 181.1
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.