CID 10611778

8-(3-nitrophenyl)-1,7-naphthyridin-6-amine

Structural Information

Molecular Formula
C14H10N4O2
SMILES
C1=CC(=CC(=C1)[N+](=O)[O-])C2=C3C(=CC(=N2)N)C=CC=N3
InChI
InChI=1S/C14H10N4O2/c15-12-8-10-4-2-6-16-13(10)14(17-12)9-3-1-5-11(7-9)18(19)20/h1-8H,(H2,15,17)
InChIKey
QEROEWFWSVQFIF-UHFFFAOYSA-N
Compound name
8-(3-nitrophenyl)-1,7-naphthyridin-6-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

16
Patents

266.08038 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 267.08766 155.9
[M+Na]+ 289.06960 163.8
[M-H]- 265.07310 161.0
[M+NH4]+ 284.11420 169.1
[M+K]+ 305.04354 154.7
[M+H-H2O]+ 249.07764 150.9
[M+HCOO]- 311.07858 178.7
[M+CH3COO]- 325.09423 194.2
[M+Na-2H]- 287.05505 166.3
[M]+ 266.07983 152.9
[M]- 266.08093 152.9
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.