CID 44148056

138879-94-4

Structural Information

Molecular Formula
C22H54N4O6
SMILES
C[N+](CC[N+](C)(CC[N+](C)(CCO)CCO)CCO)(CC[N+](C)(CCO)CCO)CCO
InChI
InChI=1S/C22H54N4O6/c1-23(11-17-27,7-9-25(3,13-19-29)14-20-30)5-6-24(2,12-18-28)8-10-26(4,15-21-31)16-22-32/h27-32H,5-22H2,1-4H3/q+4
InChIKey
CIBNYENAFRQGBD-UHFFFAOYSA-N
Compound name
2-[bis(2-hydroxyethyl)-methylazaniumyl]ethyl-[2-[2-[bis(2-hydroxyethyl)-methylazaniumyl]ethyl-(2-hydroxyethyl)-methylazaniumyl]ethyl]-(2-hydroxyethyl)-methylazanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

470.40433 Da
Monoisotopic Mass

-3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 471.41161 237.2
[M+Na]+ 493.39355 240.5
[M+NH4]+ 488.43815 243.1
[M+K]+ 509.36749 243.7
[M-H]- 469.39705 231.8
[M+Na-2H]- 491.37900 227.2
[M]+ 470.40378 237.3
[M]- 470.40488 237.3
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