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

9371
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

literature stripe

Patent stripe

patents stripe