CID 6883735

Stk836657

Structural Information

Molecular Formula
C20H16N6O2
SMILES
C1=CC(=CC(=C1)/C=N/NC(=O)C2=CC=NC=C2)/C=N/NC(=O)C3=CC=NC=C3
InChI
InChI=1S/C20H16N6O2/c27-19(17-4-8-21-9-5-17)25-23-13-15-2-1-3-16(12-15)14-24-26-20(28)18-6-10-22-11-7-18/h1-14H,(H,25,27)(H,26,28)/b23-13+,24-14+
InChIKey
GNDQMGOFWXAWPK-RNIAWFEPSA-N
Compound name
N-[(E)-[3-[(E)-(pyridine-4-carbonylhydrazinylidene)methyl]phenyl]methylideneamino]pyridine-4-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

372.13348 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.14076 185.6
[M+Na]+ 395.12270 189.5
[M-H]- 371.12620 194.7
[M+NH4]+ 390.16730 193.6
[M+K]+ 411.09664 184.8
[M+H-H2O]+ 355.13074 172.7
[M+HCOO]- 417.13168 212.6
[M+CH3COO]- 431.14733 227.7
[M+Na-2H]- 393.10815 193.6
[M]+ 372.13293 184.7
[M]- 372.13403 184.7
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.