CID 6446222

Brn 1515147

Structural Information

Molecular Formula
C17H11N3O7
SMILES
C/C(=C\C1=CC=C(O1)[N+](=O)[O-])/C(=O)OC2=C(C=CC3=C2N=CC=C3)[N+](=O)[O-]
InChI
InChI=1S/C17H11N3O7/c1-10(9-12-5-7-14(26-12)20(24)25)17(21)27-16-13(19(22)23)6-4-11-3-2-8-18-15(11)16/h2-9H,1H3/b10-9+
InChIKey
ZIMUYOAUQOJEPQ-MDZDMXLPSA-N
Compound name
(7-nitroquinolin-8-yl) (E)-2-methyl-3-(5-nitrofuran-2-yl)prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

369.0597 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.06698 183.6
[M+Na]+ 392.04892 188.2
[M-H]- 368.05242 191.0
[M+NH4]+ 387.09352 192.7
[M+K]+ 408.02286 178.4
[M+H-H2O]+ 352.05696 183.3
[M+HCOO]- 414.05790 206.0
[M+CH3COO]- 428.07355 202.7
[M+Na-2H]- 390.03437 191.5
[M]+ 369.05915 184.4
[M]- 369.06025 184.4
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.