CID 13059955

1,1'-iminobis(3-(cyclooctyloxy)-2-propanol)

Structural Information

Molecular Formula
C22H43NO4
SMILES
C1CCCC(CCC1)OCC(CNCC(COC2CCCCCCC2)O)O
InChI
InChI=1S/C22H43NO4/c24-19(17-26-21-11-7-3-1-4-8-12-21)15-23-16-20(25)18-27-22-13-9-5-2-6-10-14-22/h19-25H,1-18H2
InChIKey
MTSORJGETJAIBI-UHFFFAOYSA-N
Compound name
1-cyclooctyloxy-3-[(3-cyclooctyloxy-2-hydroxypropyl)amino]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

385.3192 Da
Monoisotopic Mass

4.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 386.326476 126.9
[M+Na]+ 408.308418 127.7
[M-H]- 384.311924 127.2
[M+NH4]+ 403.353023 127.5
[M+K]+ 424.282358 128.2
[M+H-H2O]+ 368.316460 126.0
[M+HCOO]- 430.317401 127.4
[M+CH3COO]- 444.333051 252.8
[M+Na-2H]- 406.293866 126.0
[M]+ 385.31865142 126.7
[M]- 385.31974858 126.7
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.