CID 5378129

858-15-1

Structural Information

Molecular Formula
C15H11N3O3
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)N)/C=C/C3=CC=C(O3)[N+](=O)[O-]
InChI
InChI=1S/C15H11N3O3/c16-14-9-10(12-3-1-2-4-13(12)17-14)5-6-11-7-8-15(21-11)18(19)20/h1-9H,(H2,16,17)/b6-5+
InChIKey
GODMEWMSJPRTMT-AATRIKPKSA-N
Compound name
4-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinolin-2-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.08005 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08733 160.4
[M+Na]+ 304.06927 175.6
[M+NH4]+ 299.11387 168.2
[M+K]+ 320.04321 173.0
[M-H]- 280.07277 167.3
[M+Na-2H]- 302.05472 168.0
[M]+ 281.07950 164.4
[M]- 281.08060 164.4
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.