CID 91667999

2-propanol, 1,1',1'',1'''-(((2-hydroxypropoxy)nonylphenylene)bis(methylenenitrilobis(2,1-ethanediyloxy)))tetrakis-

Structural Information

Molecular Formula
C40H76N2O10
SMILES
CCCCCCCCCC1=C(C=CC(=C1OCC(C)O)CN(CCOCC(C)O)CCOCC(C)O)CN(CCOCC(C)O)CCOCC(C)O
InChI
InChI=1S/C40H76N2O10/c1-7-8-9-10-11-12-13-14-39-37(25-41(17-21-48-27-32(2)43)18-22-49-28-33(3)44)15-16-38(40(39)52-31-36(6)47)26-42(19-23-50-29-34(4)45)20-24-51-30-35(5)46/h15-16,32-36,43-47H,7-14,17-31H2,1-6H3
InChIKey
AMAYRCMPLGUWJE-UHFFFAOYSA-N
Compound name
1-[2-[[4-[[bis[2-(2-hydroxypropoxy)ethyl]amino]methyl]-3-(2-hydroxypropoxy)-2-nonylphenyl]methyl-[2-(2-hydroxypropoxy)ethyl]amino]ethoxy]propan-2-ol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

744.55 Da
Monoisotopic Mass

4.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 745.55728 294.6
[M+Na]+ 767.53922 296.2
[M+NH4]+ 762.58382 299.0
[M+K]+ 783.51316 296.7
[M-H]- 743.54272 290.4
[M+Na-2H]- 765.52467 293.6
[M]+ 744.54945 294.1
[M]- 744.55055 294.1
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.