CID 244113

N-(aza(1,3-dioxoindan-2-ylidene)methyl)-4-pyridylformamide

Structural Information

Molecular Formula
C15H9N3O3
SMILES
C1=CC=C2C(=C1)C(=O)C(=NNC(=O)C3=CC=NC=C3)C2=O
InChI
InChI=1S/C15H9N3O3/c19-13-10-3-1-2-4-11(10)14(20)12(13)17-18-15(21)9-5-7-16-8-6-9/h1-8H,(H,18,21)
InChIKey
WBRLZIXEQFIXCQ-UHFFFAOYSA-N
Compound name
N-[(1,3-dioxoinden-2-ylidene)amino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

7
Patents

279.0644 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 280.07168 158.2
[M+Na]+ 302.05362 168.7
[M-H]- 278.05712 167.3
[M+NH4]+ 297.09822 175.6
[M+K]+ 318.02756 164.4
[M+H-H2O]+ 262.06166 149.7
[M+HCOO]- 324.06260 186.8
[M+CH3COO]- 338.07825 203.6
[M+Na-2H]- 300.03907 165.4
[M]+ 279.06385 161.4
[M]- 279.06495 161.4
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

patents stripe