CID 5377243

Quinoline, 4,6-diamino-2-(2-(5-nitro-2-furyl)vinyl)-, monohydrochloride

Structural Information

Molecular Formula
C15H12N4O3
SMILES
C1=CC2=NC(=CC(=C2C=C1N)N)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C15H12N4O3/c16-9-1-5-14-12(7-9)13(17)8-10(18-14)2-3-11-4-6-15(22-11)19(20)21/h1-8H,16H2,(H2,17,18)/b3-2+
InChIKey
NDSKZFLJUNNYLC-NSCUHMNNSA-N
Compound name
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4,6-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.09094 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.098216 164.5
[M+Na]+ 319.080158 173.0
[M-H]- 295.083664 171.9
[M+NH4]+ 314.124763 178.1
[M+K]+ 335.054098 164.6
[M+H-H2O]+ 279.088200 160.6
[M+HCOO]- 341.089141 190.3
[M+CH3COO]- 355.104791 200.3
[M+Na-2H]- 317.065606 172.2
[M]+ 296.09039142 163.6
[M]- 296.09148858 163.6
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.