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 162.3
[M+Na]+ 316.06927 168.1
[M-H]- 292.07277 168.5
[M+NH4]+ 311.11387 175.3
[M+K]+ 332.04321 159.8
[M+H-H2O]+ 276.07731 157.4
[M+HCOO]- 338.07825 185.6
[M+CH3COO]- 352.09390 198.3
[M+Na-2H]- 314.05472 171.8
[M]+ 293.07950 160.0
[M]- 293.08060 160.0
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.