CID 9573894

Nsc375164

Structural Information

Molecular Formula
C36H36N8O4
SMILES
CN1C(=C[N+]2=CC=CC=C12)COC3=CC=C(C=C3)/C=N/NC(=O)CCC(=O)N/N=C/C4=CC=C(C=C4)OCC5=C[N+]6=CC=CC=C6N5C
InChI
InChI=1S/C36H34N8O4/c1-41-29(23-43-19-5-3-7-35(41)43)25-47-31-13-9-27(10-14-31)21-37-39-33(45)17-18-34(46)40-38-22-28-11-15-32(16-12-28)48-26-30-24-44-20-6-4-8-36(44)42(30)2/h3-16,19-24H,17-18,25-26H2,1-2H3/p+2/b37-21+,38-22+
InChIKey
PQBWJZUNHOXOQG-DITNJDIQSA-P
Compound name
N,N'-bis[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]butanediamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

644.28595 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 645.29323 254.5
[M+Na]+ 667.27517 256.4
[M-H]- 643.27867 267.2
[M+NH4]+ 662.31977 253.2
[M+K]+ 683.24911 239.8
[M+H-H2O]+ 627.28321 244.0
[M+HCOO]- 689.28415 275.5
[M+CH3COO]- 703.29980 263.4
[M+Na-2H]- 665.26062 261.9
[M]+ 644.28540 259.8
[M]- 644.28650 259.8
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.