CID 5377243

4,6-diamino-2-q-ran hydrochloride

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]+ 297.09822 164.7
[M+Na]+ 319.08016 178.7
[M+NH4]+ 314.12476 171.8
[M+K]+ 335.05410 176.9
[M-H]- 295.08366 171.7
[M+Na-2H]- 317.06561 171.2
[M]+ 296.09039 168.4
[M]- 296.09149 168.4
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.