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 246.2
[M+Na]+ 607.27922 248.3
[M-H]- 583.28272 259.9
[M+NH4]+ 602.32382 244.9
[M+K]+ 623.25316 240.2
[M+H-H2O]+ 567.28726 229.2
[M+HCOO]- 629.28820 268.8
[M+CH3COO]- 643.30385 250.6
[M+Na-2H]- 605.26467 248.1
[M]+ 584.28945 246.1
[M]- 584.29055 246.1
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.