CID 3449483

N-(2-nitrophenyl)quinoline-2-carboxamide

Structural Information

Molecular Formula
C16H11N3O3
SMILES
C1=CC=C2C(=C1)C=CC(=N2)C(=O)NC3=CC=CC=C3[N+](=O)[O-]
InChI
InChI=1S/C16H11N3O3/c20-16(18-13-7-3-4-8-15(13)19(21)22)14-10-9-11-5-1-2-6-12(11)17-14/h1-10H,(H,18,20)
InChIKey
DHDGLTJOCMHBJD-UHFFFAOYSA-N
Compound name
N-(2-nitrophenyl)quinoline-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

293.08005 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08733 162.7
[M+Na]+ 316.06927 178.1
[M+NH4]+ 311.11387 170.7
[M+K]+ 332.04321 173.2
[M-H]- 292.07277 169.0
[M+Na-2H]- 314.05472 172.1
[M]+ 293.07950 166.6
[M]- 293.08060 166.6
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.