CID 3044154

Brn 0423994

Structural Information

Molecular Formula
C15H11N3O3
SMILES
C1=CC=C2C(=C1)C(=O)N(C2=O)CNC(=O)C3=CN=CC=C3
InChI
InChI=1S/C15H11N3O3/c19-13(10-4-3-7-16-8-10)17-9-18-14(20)11-5-1-2-6-12(11)15(18)21/h1-8H,9H2,(H,17,19)
InChIKey
IWYZMCXTZADIPB-UHFFFAOYSA-N
Compound name
N-[(1,3-dioxoisoindol-2-yl)methyl]pyridine-3-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.08005 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.08733 161.4
[M+Na]+ 304.06927 170.0
[M-H]- 280.07277 166.9
[M+NH4]+ 299.11387 176.9
[M+K]+ 320.04321 165.7
[M+H-H2O]+ 264.07731 152.6
[M+HCOO]- 326.07825 183.2
[M+CH3COO]- 340.09390 200.7
[M+Na-2H]- 302.05472 165.8
[M]+ 281.07950 162.0
[M]- 281.08060 162.0
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.