CID 210000

Pyridinium, 2,2'-(terephthaloylbis(imino-p-phenyleneimino))bis(1-propyl-, di-p-toluenesulfonate

Structural Information

Molecular Formula
C36H36N6O2
SMILES
CCCN1C=CC=CC1=NC2=CC=C(C=C2)NC(=O)C3=CC=C(C=C3)C(=O)NC4=CC=C(C=C4)N=C5C=CC=CN5CCC
InChI
InChI=1S/C36H36N6O2/c1-3-23-41-25-7-5-9-33(41)37-29-15-19-31(20-16-29)39-35(43)27-11-13-28(14-12-27)36(44)40-32-21-17-30(18-22-32)38-34-10-6-8-26-42(34)24-4-2/h5-22,25-26H,3-4,23-24H2,1-2H3,(H,39,43)(H,40,44)
InChIKey
ASUVMSNPJYKXKT-UHFFFAOYSA-N
Compound name
1-N,4-N-bis[4-[(1-propylpyridin-2-ylidene)amino]phenyl]benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

584.29 Da
Monoisotopic Mass

6.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.29728 248.3
[M+Na]+ 607.27922 263.7
[M+NH4]+ 602.32382 252.8
[M+K]+ 623.25316 252.5
[M-H]- 583.28272 260.0
[M+Na-2H]- 605.26467 261.5
[M]+ 584.28945 253.7
[M]- 584.29055 253.7
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.