CID 71336311

108228-37-1

Structural Information

Molecular Formula
C22H38N4
SMILES
C[N+](C)(C)CCC[N+]1=CC=C(C=C1)C2=CC=[N+](C=C2)CCC[N+](C)(C)C
InChI
InChI=1S/C22H38N4/c1-25(2,3)19-7-13-23-15-9-21(10-16-23)22-11-17-24(18-12-22)14-8-20-26(4,5)6/h9-12,15-18H,7-8,13-14,19-20H2,1-6H3/q+4
InChIKey
RHUHAEOMZGWHEL-UHFFFAOYSA-N
Compound name
trimethyl-[3-[4-[1-[3-(trimethylazaniumyl)propyl]pyridin-1-ium-4-yl]pyridin-1-ium-1-yl]propyl]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

15
Patents

358.30966 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 359.31694 216.9
[M+Na]+ 381.29888 223.2
[M+NH4]+ 376.34348 224.0
[M+K]+ 397.27282 226.2
[M-H]- 357.30238 212.3
[M+Na-2H]- 379.28433 201.4
[M]+ 358.30911 218.1
[M]- 358.31021 218.1
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

patents stripe