CID 105771

67845-80-1

Structural Information

Molecular Formula
C28H52N2O5
SMILES
CCCCCCCCCCCCC1=CC(=C(C(=C1)CN(CCO)CCO)O)CN(CCO)CCO
InChI
InChI=1S/C28H52N2O5/c1-2-3-4-5-6-7-8-9-10-11-12-25-21-26(23-29(13-17-31)14-18-32)28(35)27(22-25)24-30(15-19-33)16-20-34/h21-22,31-35H,2-20,23-24H2,1H3
InChIKey
OULHAICTILGDPH-UHFFFAOYSA-N
Compound name
2,6-bis[[bis(2-hydroxyethyl)amino]methyl]-4-dodecylphenol
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

496.38763 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 497.39491 231.5
[M+Na]+ 519.37685 235.1
[M+NH4]+ 514.42145 242.2
[M+K]+ 535.35079 229.3
[M-H]- 495.38035 230.0
[M+Na-2H]- 517.36230 229.1
[M]+ 496.38708 230.9
[M]- 496.38818 230.9
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.