CID 3841915

Oprea1_349054

Structural Information

Molecular Formula
C16H11N3O3
SMILES
C1=CC2=C(C=CC(=C2)N=CC3=C(C=CC(=C3)[N+](=O)[O-])O)N=C1
InChI
InChI=1S/C16H11N3O3/c20-16-6-4-14(19(21)22)9-12(16)10-18-13-3-5-15-11(8-13)2-1-7-17-15/h1-10,20H
InChIKey
FUONIBGOHUAYPQ-UHFFFAOYSA-N
Compound name
4-nitro-2-(quinolin-6-yliminomethyl)phenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

293.08005 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 294.08733 163.1
[M+Na]+ 316.06927 170.1
[M-H]- 292.07277 169.6
[M+NH4]+ 311.11387 176.5
[M+K]+ 332.04321 161.3
[M+H-H2O]+ 276.07731 158.2
[M+HCOO]- 338.07825 187.4
[M+CH3COO]- 352.09390 198.7
[M+Na-2H]- 314.05472 173.0
[M]+ 293.07950 161.8
[M]- 293.08060 161.8
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.