CID 205719

Quinolinium, 6,6'-((2-aminoterephthaloyl)diimino)bis(1-ethyl-, di-p-toluenesulfonate

Structural Information

Molecular Formula
C30H29N5O2
SMILES
CC[N+]1=CC=CC2=C1C=CC(=C2)NC(=O)C3=CC(=C(C=C3)C(=O)NC4=CC5=C(C=C4)[N+](=CC=C5)CC)N
InChI
InChI=1S/C30H27N5O2/c1-3-34-15-5-7-20-17-23(10-13-27(20)34)32-29(36)22-9-12-25(26(31)19-22)30(37)33-24-11-14-28-21(18-24)8-6-16-35(28)4-2/h5-19H,3-4H2,1-2H3,(H2-2,31,32,33,36,37)/p+2
InChIKey
UYMUEJFLHWXSAP-UHFFFAOYSA-P
Compound name
2-amino-1-N,4-N-bis(1-ethylquinolin-1-ium-6-yl)benzene-1,4-dicarboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

491.23212 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 492.23940 219.8
[M+Na]+ 514.22134 239.6
[M+NH4]+ 509.26594 228.2
[M+K]+ 530.19528 231.0
[M-H]- 490.22484 231.4
[M+Na-2H]- 512.20679 230.9
[M]+ 491.23157 226.7
[M]- 491.23267 226.7
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.