CID 3057337

3,4-pyridinedicarboximide, n-(1-naphthyl)-

Structural Information

Molecular Formula
C17H10N2O2
SMILES
C1=CC=C2C(=C1)C=CC=C2N3C(=O)C4=C(C3=O)C=NC=C4
InChI
InChI=1S/C17H10N2O2/c20-16-13-8-9-18-10-14(13)17(21)19(16)15-7-3-5-11-4-1-2-6-12(11)15/h1-10H
InChIKey
NKRFIZVCUSHRSY-UHFFFAOYSA-N
Compound name
2-naphthalen-1-ylpyrrolo[3,4-c]pyridine-1,3-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

274.07422 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 275.08150 161.3
[M+Na]+ 297.06344 172.3
[M-H]- 273.06694 167.9
[M+NH4]+ 292.10804 178.5
[M+K]+ 313.03738 166.1
[M+H-H2O]+ 257.07148 152.3
[M+HCOO]- 319.07242 181.5
[M+CH3COO]- 333.08807 173.8
[M+Na-2H]- 295.04889 166.8
[M]+ 274.07367 162.1
[M]- 274.07477 162.1
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.