CID 461783

Nsc603173

Structural Information

Molecular Formula
C36H30N6O2
SMILES
CN1C2=CC=CC=[N+]2C=C1C3=CC=C(C=C3)NC(=O)C4=CC=C(C=C4)C(=O)NC5=CC=C(C=C5)C6=C[N+]7=CC=CC=C7N6C
InChI
InChI=1S/C36H28N6O2/c1-39-31(23-41-21-5-3-7-33(39)41)25-13-17-29(18-14-25)37-35(43)27-9-11-28(12-10-27)36(44)38-30-19-15-26(16-20-30)32-24-42-22-6-4-8-34(42)40(32)2/h3-24H,1-2H3/p+2
InChIKey
RKNURUCIOLEYPB-UHFFFAOYSA-P
Compound name
1-N,4-N-bis[4-(1-methylimidazo[1,2-a]pyridin-4-ium-2-yl)phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

578.24304 Da
Monoisotopic Mass

6.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 579.25032 246.0
[M+Na]+ 601.23226 250.9
[M-H]- 577.23576 259.7
[M+NH4]+ 596.27686 246.5
[M+K]+ 617.20620 231.7
[M+H-H2O]+ 561.24030 236.0
[M+HCOO]- 623.24124 262.4
[M+CH3COO]- 637.25689 246.6
[M+Na-2H]- 599.21771 250.1
[M]+ 578.24249 246.4
[M]- 578.24359 246.4
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.