CID 170105

38719-97-0

Structural Information

Molecular Formula
C41H90N3O8
SMILES
CCCCCCCCCCCCCCCCCC[N+](C)(CC[N+](C)(CC[N+](C)(CCOCCO)CCOCCO)CCOCCO)CCOCCO
InChI
InChI=1S/C41H90N3O8/c1-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-21-42(2,26-34-49-38-30-45)22-23-43(3,27-35-50-39-31-46)24-25-44(4,28-36-51-40-32-47)29-37-52-41-33-48/h45-48H,5-41H2,1-4H3/q+3
InChIKey
YISFIBQHRLTXHP-UHFFFAOYSA-N
Compound name
bis[2-(2-hydroxyethoxy)ethyl]-[2-[2-(2-hydroxyethoxy)ethyl-[2-[2-(2-hydroxyethoxy)ethyl-methyl-octadecylazaniumyl]ethyl]-methylazaniumyl]ethyl]-methylazanium
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

752.6728 Da
Monoisotopic Mass

5.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 753.68008 312.9
[M+Na]+ 775.66202 309.5
[M-H]- 751.66552 307.3
[M+NH4]+ 770.70662 310.2
[M+K]+ 791.63596 308.9
[M+H-H2O]+ 735.67006 289.5
[M+HCOO]- 797.67100 322.6
[M+CH3COO]- 811.68665 274.4
[M+Na-2H]- 773.64747 288.5
[M]+ 752.67225 304.6
[M]- 752.67335 304.6
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.