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

13
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

literature stripe

Patent stripe

patents stripe