CID 174877

Quaternium-52

Structural Information

Molecular Formula
C30H64NO6
SMILES
CCCCCCCCCCCCCCCCCC[N+](CCOCCO)(CCOCCO)CCOCCO
InChI
InChI=1S/C30H64NO6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-31(19-25-35-28-22-32,20-26-36-29-23-33)21-27-37-30-24-34/h32-34H,2-30H2,1H3/q+1
InChIKey
GUVQMDDJQBSOPY-UHFFFAOYSA-N
Compound name
tris[2-(2-hydroxyethoxy)ethyl]-octadecylazanium
Related CIDs

2D Structure

compound 2d structure
3
Annotation Hits

0
References

1549
Patents

534.4734 Da
Monoisotopic Mass

6.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 535.48068 252.2
[M+Na]+ 557.46262 252.7
[M-H]- 533.46612 239.0
[M+NH4]+ 552.50722 246.8
[M+K]+ 573.43656 249.9
[M+H-H2O]+ 517.47066 242.4
[M+HCOO]- 579.47160 261.6
[M+CH3COO]- 593.48725 242.9
[M+Na-2H]- 555.44807 233.1
[M]+ 534.47285 248.0
[M]- 534.47395 248.0
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