CID 88354

2,6-bis((bis(2-hydroxyethyl)amino)methyl)-4-nonylphenol

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
3
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]+ 455.347946 217.4
[M+Na]+ 477.329888 216.2
[M-H]- 453.333394 214.5
[M+NH4]+ 472.374493 223.5
[M+K]+ 493.303828 212.5
[M+H-H2O]+ 437.337930 208.1
[M+HCOO]- 499.338871 232.9
[M+CH3COO]- 513.354521 237.6
[M+Na-2H]- 475.315336 212.2
[M]+ 454.34012142 222.8
[M]- 454.34121858 222.8
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.