CID 9573911

Nsc380480

Structural Information

Molecular Formula
C40H36N8O4
SMILES
CN1C2=CC=CC=[N+]2C=C1COC3=CC=C(C=C3)/C=N/NC(=O)C4=CC(=CC=C4)C(=O)N/N=C/C5=CC=C(C=C5)OCC6=C[N+]7=CC=CC=C7N6C
InChI
InChI=1S/C40H34N8O4/c1-45-33(25-47-20-5-3-10-37(45)47)27-51-35-16-12-29(13-17-35)23-41-43-39(49)31-8-7-9-32(22-31)40(50)44-42-24-30-14-18-36(19-15-30)52-28-34-26-48-21-6-4-11-38(48)46(34)2/h3-26H,27-28H2,1-2H3/p+2/b41-23+,42-24+
InChIKey
AOXPTUJKPQEOPV-WAJJMWJGSA-P
Compound name
1-N,3-N-bis[(E)-[4-[(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)methoxy]phenyl]methylideneamino]benzene-1,3-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

692.28595 Da
Monoisotopic Mass

6.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 693.29323 264.3
[M+Na]+ 715.27517 265.6
[M-H]- 691.27867 279.5
[M+NH4]+ 710.31977 260.4
[M+K]+ 731.24911 248.7
[M+H-H2O]+ 675.28321 252.5
[M+HCOO]- 737.28415 284.1
[M+CH3COO]- 751.29980 271.2
[M+Na-2H]- 713.26062 271.0
[M]+ 692.28540 268.3
[M]- 692.28650 268.3
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.