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 282.1
[M+Na]+ 767.53922 286.0
[M-H]- 743.54272 279.7
[M+NH4]+ 762.58382 287.7
[M+K]+ 783.51316 287.3
[M+H-H2O]+ 727.54726 281.4
[M+HCOO]- 789.54820 269.3
[M+CH3COO]- 803.56385 292.5
[M+Na-2H]- 765.52467 263.1
[M]+ 744.54945 277.4
[M]- 744.55055 277.4
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.