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]+ 275.081496 161.3
[M+Na]+ 297.063438 172.3
[M-H]- 273.066944 167.9
[M+NH4]+ 292.108043 178.5
[M+K]+ 313.037378 166.1
[M+H-H2O]+ 257.071480 152.3
[M+HCOO]- 319.072421 181.5
[M+CH3COO]- 333.088071 173.8
[M+Na-2H]- 295.048886 166.8
[M]+ 274.07367142 162.1
[M]- 274.07476858 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.