CID 88354

20073-51-2

Structural Information

Molecular Formula
C25H46N2O5
SMILES
CCCCCCCCCC1=CC(=C(C(=C1)CN(CCO)CCO)O)CN(CCO)CCO
InChI
InChI=1S/C25H46N2O5/c1-2-3-4-5-6-7-8-9-22-18-23(20-26(10-14-28)11-15-29)25(32)24(19-22)21-27(12-16-30)13-17-31/h18-19,28-32H,2-17,20-21H2,1H3
InChIKey
HUFXECXTFFUYQG-UHFFFAOYSA-N
Compound name
2,6-bis[[bis(2-hydroxyethyl)amino]methyl]-4-nonylphenol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

454.34067 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 455.34795 218.7
[M+Na]+ 477.32989 222.9
[M+NH4]+ 472.37449 220.7
[M+K]+ 493.30383 217.8
[M-H]- 453.33339 217.3
[M+Na-2H]- 475.31534 217.0
[M]+ 454.34012 218.2
[M]- 454.34122 218.2
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.