CID 581763

N-(4-nitrobenzylidene)quinolin-6-amine

Structural Information

Molecular Formula
C16H11N3O2
SMILES
C1=CC2=C(C=CC(=C2)N=CC3=CC=C(C=C3)[N+](=O)[O-])N=C1
InChI
InChI=1S/C16H11N3O2/c20-19(21)15-6-3-12(4-7-15)11-18-14-5-8-16-13(10-14)2-1-9-17-16/h1-11H
InChIKey
MRTGVHMDBZMJNR-UHFFFAOYSA-N
Compound name
1-(4-nitrophenyl)-N-quinolin-6-ylmethanimine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.0851 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.09238 160.2
[M+Na]+ 300.07432 167.0
[M-H]- 276.07782 167.6
[M+NH4]+ 295.11892 174.8
[M+K]+ 316.04826 158.3
[M+H-H2O]+ 260.08236 155.0
[M+HCOO]- 322.08330 185.8
[M+CH3COO]- 336.09895 198.1
[M+Na-2H]- 298.05977 170.9
[M]+ 277.08455 158.9
[M]- 277.08565 158.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.