CID 5748807

Ethanol, 2,2'-((2-(isooctyloxy)ethyl)imino)bis-

Structural Information

Molecular Formula
C22H46NO3
SMILES
CC(C)CCCCCOCC[N+](=CCOCCCCCC(C)C)CCO
InChI
InChI=1S/C22H46NO3/c1-21(2)11-7-5-9-17-25-19-14-23(13-16-24)15-20-26-18-10-6-8-12-22(3)4/h14,21-22,24H,5-13,15-20H2,1-4H3/q+1
InChIKey
ZAATVVITGANLPX-UHFFFAOYSA-N
Compound name
2-hydroxyethyl-[2-(6-methylheptoxy)ethyl]-[2-(6-methylheptoxy)ethylidene]azanium
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

372.34778 Da
Monoisotopic Mass

5.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 373.35506 206.2
[M+Na]+ 395.33700 205.6
[M-H]- 371.34050 203.9
[M+NH4]+ 390.38160 220.5
[M+K]+ 411.31094 198.0
[M+H-H2O]+ 355.34504 201.0
[M+HCOO]- 417.34598 228.3
[M+CH3COO]- 431.36163 219.6
[M+Na-2H]- 393.32245 203.6
[M]+ 372.34723 212.9
[M]- 372.34833 212.9
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.