CID 105191

65294-05-5

Structural Information

Molecular Formula
C28H44N4O2
SMILES
C1=CC=[N+](C=C1)CCCCCC(=O)NCCCCCCNC(=O)CCCCC[N+]2=CC=CC=C2
InChI
InChI=1S/C28H42N4O2/c33-27(17-7-3-11-21-31-23-13-5-14-24-31)29-19-9-1-2-10-20-30-28(34)18-8-4-12-22-32-25-15-6-16-26-32/h5-6,13-16,23-26H,1-4,7-12,17-22H2/p+2
InChIKey
HZXDAZZBVDWICU-UHFFFAOYSA-P
Compound name
6-pyridin-1-ium-1-yl-N-[6-(6-pyridin-1-ium-1-ylhexanoylamino)hexyl]hexanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

468.34644 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 469.35372 225.1
[M+Na]+ 491.33566 222.9
[M-H]- 467.33916 226.2
[M+NH4]+ 486.38026 228.2
[M+K]+ 507.30960 205.5
[M+H-H2O]+ 451.34370 217.5
[M+HCOO]- 513.34464 241.7
[M+CH3COO]- 527.36029 227.4
[M+Na-2H]- 489.32111 229.4
[M]+ 468.34589 225.7
[M]- 468.34699 225.7
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.