CID 5377642

2-(5-nitro-2-furylvinyl)-4-quinolinecarboxamide

Structural Information

Molecular Formula
C16H11N3O4
SMILES
C1=CC=C2C(=C1)C(=CC(=N2)/C=C/C3=CC=C(O3)[N+](=O)[O-])C(=O)N
InChI
InChI=1S/C16H11N3O4/c17-16(20)13-9-10(18-14-4-2-1-3-12(13)14)5-6-11-7-8-15(23-11)19(21)22/h1-9H,(H2,17,20)/b6-5+
InChIKey
KIANDUXTXYWIIF-AATRIKPKSA-N
Compound name
2-[(E)-2-(5-nitrofuran-2-yl)ethenyl]quinoline-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.07495 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.08223 168.4
[M+Na]+ 332.06417 176.1
[M-H]- 308.06767 175.8
[M+NH4]+ 327.10877 181.4
[M+K]+ 348.03811 168.4
[M+H-H2O]+ 292.07221 164.4
[M+HCOO]- 354.07315 192.7
[M+CH3COO]- 368.08880 199.7
[M+Na-2H]- 330.04962 175.4
[M]+ 309.07440 168.9
[M]- 309.07550 168.9
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.