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

16
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 189.8
[M+Na]+ 381.29888 193.3
[M-H]- 357.30238 195.9
[M+NH4]+ 376.34348 199.3
[M+K]+ 397.27282 169.5
[M+H-H2O]+ 341.30692 189.9
[M+HCOO]- 403.30786 207.0
[M+CH3COO]- 417.32351 207.1
[M+Na-2H]- 379.28433 204.4
[M]+ 358.30911 188.5
[M]- 358.31021 188.5
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