CID 199197

3819-24-7

Structural Information

Molecular Formula
C38H54N2
SMILES
C1=CC=C2C(=C1)C=CC=[N+]2CCCCCCCCCCCCCCCCCCCC[N+]3=CC=CC4=CC=CC=C43
InChI
InChI=1S/C38H54N2/c1(3-5-7-9-11-13-15-21-31-39-33-23-27-35-25-17-19-29-37(35)39)2-4-6-8-10-12-14-16-22-32-40-34-24-28-36-26-18-20-30-38(36)40/h17-20,23-30,33-34H,1-16,21-22,31-32H2/q+2
InChIKey
KTPWWIWWLDXNFH-UHFFFAOYSA-N
Compound name
1-(20-quinolin-1-ium-1-ylicosyl)quinolin-1-ium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

538.4287 Da
Monoisotopic Mass

13.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 539.43598 257.4
[M+Na]+ 561.41792 257.1
[M-H]- 537.42142 259.1
[M+NH4]+ 556.46252 260.1
[M+K]+ 577.39186 235.2
[M+H-H2O]+ 521.42596 247.1
[M+HCOO]- 583.42690 269.4
[M+CH3COO]- 597.44255 242.2
[M+Na-2H]- 559.40337 260.7
[M]+ 538.42815 261.2
[M]- 538.42925 261.2
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.