CID 367787

Nsc637729

Structural Information

Molecular Formula
C15H10N2O2
SMILES
C1=CC=C2C(=C1)C(=CC(=O)C2=O)NC3=CN=CC=C3
InChI
InChI=1S/C15H10N2O2/c18-14-8-13(17-10-4-3-7-16-9-10)11-5-1-2-6-12(11)15(14)19/h1-9,17H
InChIKey
HZFXWCMVFFTFJE-UHFFFAOYSA-N
Compound name
4-(pyridin-3-ylamino)naphthalene-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

5
References

0
Patents

250.07423 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.081506 153.2
[M+Na]+ 273.063448 162.2
[M-H]- 249.066954 159.8
[M+NH4]+ 268.108053 169.6
[M+K]+ 289.037388 157.2
[M+H-H2O]+ 233.071490 144.5
[M+HCOO]- 295.072431 176.1
[M+CH3COO]- 309.088081 165.7
[M+Na-2H]- 271.048896 161.4
[M]+ 250.07368142 152.4
[M]- 250.07477858 152.4
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.