CID 9574556

Nsc610895

Structural Information

Molecular Formula
C38H32N8O4
SMILES
C[N+]1=C2N(C=C1C3=CC=C(C=C3)/C=N/NC(=O)C4=C(C(=C(C=C4)C(=O)N/N=C/C5=CC=C(C=C5)C6=CN7C(=[N+]6C)C=CC=C7)O)O)C=CC=C2
InChI
InChI=1S/C38H30N8O4/c1-43-31(23-45-19-5-3-7-33(43)45)27-13-9-25(10-14-27)21-39-41-37(49)29-17-18-30(36(48)35(29)47)38(50)42-40-22-26-11-15-28(16-12-26)32-24-46-20-6-4-8-34(46)44(32)2/h3-24H,1-2H3,(H2-2,41,42,47,48,49,50)/p+2/b39-21+,40-22+
InChIKey
OGOSFYABDCKRLO-NJHHXWHYSA-P
Compound name
2,3-dihydroxy-1-N,4-N-bis[(E)-[4-(1-methylimidazo[1,2-a]pyridin-1-ium-2-yl)phenyl]methylideneamino]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

664.25464 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 665.26192 257.0
[M+Na]+ 687.24386 260.1
[M-H]- 663.24736 271.4
[M+NH4]+ 682.28846 253.8
[M+K]+ 703.21780 242.7
[M+H-H2O]+ 647.25190 247.1
[M+HCOO]- 709.25284 275.1
[M+CH3COO]- 723.26849 265.2
[M+Na-2H]- 685.22931 263.2
[M]+ 664.25409 258.9
[M]- 664.25519 258.9
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.