CID 23258

17671-49-7

Structural Information

Molecular Formula
C27H58N2O3
SMILES
CCCCCCCCCCCCCCCCCCN(CCCN(CCO)CCO)CCO
InChI
InChI=1S/C27H58N2O3/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17-19-28(22-25-30)20-18-21-29(23-26-31)24-27-32/h30-32H,2-27H2,1H3
InChIKey
KRZCNRGNPAESDC-UHFFFAOYSA-N
Compound name
2-[3-[bis(2-hydroxyethyl)amino]propyl-octadecylamino]ethanol
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

114
References

9333
Patents

458.44473 Da
Monoisotopic Mass

7.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 459.45201 228.4
[M+Na]+ 481.43395 252.4
[M-H]- 457.43745 234.3
[M+NH4]+ 476.47855 241.6
[M+K]+ 497.40789 220.1
[M+H-H2O]+ 441.44199 218.8
[M+HCOO]- 503.44293 246.5
[M+CH3COO]- 517.45858 244.2
[M+Na-2H]- 479.41940 222.2
[M]+ 458.44418 240.2
[M]- 458.44528 240.2
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

patents stripe