CID 9574824

Nsc610897

Structural Information

Molecular Formula
C26H24N8O2
SMILES
CN1C(=C[N+]2=CC=CC=C12)/C=N/NC(=O)C3=CC=C(C=C3)C(=O)N/N=C/C4=C[N+]5=CC=CC=C5N4C
InChI
InChI=1S/C26H22N8O2/c1-31-21(17-33-13-5-3-7-23(31)33)15-27-29-25(35)19-9-11-20(12-10-19)26(36)30-28-16-22-18-34-14-6-4-8-24(34)32(22)2/h3-18H,1-2H3/p+2/b27-15+,28-16+
InChIKey
GQZVBUYLQOEKEO-DPCVLPDWSA-P
Compound name
1-N,4-N-bis[(E)-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methylideneamino]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

480.2022 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 481.20948 214.6
[M+Na]+ 503.19142 221.0
[M-H]- 479.19492 225.6
[M+NH4]+ 498.23602 221.1
[M+K]+ 519.16536 204.0
[M+H-H2O]+ 463.19946 206.7
[M+HCOO]- 525.20040 238.7
[M+CH3COO]- 539.21605 235.0
[M+Na-2H]- 501.17687 224.7
[M]+ 480.20165 217.4
[M]- 480.20275 217.4
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.