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]+ 455.34795 217.4
[M+Na]+ 477.32989 216.2
[M-H]- 453.33339 214.5
[M+NH4]+ 472.37449 223.5
[M+K]+ 493.30383 212.5
[M+H-H2O]+ 437.33793 208.1
[M+HCOO]- 499.33887 232.9
[M+CH3COO]- 513.35452 237.6
[M+Na-2H]- 475.31534 212.2
[M]+ 454.34012 222.8
[M]- 454.34122 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.