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]+ 386.32648 126.9
[M+Na]+ 408.30842 127.7
[M-H]- 384.31192 127.2
[M+NH4]+ 403.35302 127.5
[M+K]+ 424.28236 128.2
[M+H-H2O]+ 368.31646 126.0
[M+HCOO]- 430.31740 127.4
[M+CH3COO]- 444.33305 252.8
[M+Na-2H]- 406.29387 126.0
[M]+ 385.31865 126.7
[M]- 385.31975 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.