CID 37186

Avridine

Structural Information

Molecular Formula
C43H90N2O2
SMILES
CCCCCCCCCCCCCCCCCCN(CCCCCCCCCCCCCCCCCC)CCCN(CCO)CCO
InChI
InChI=1S/C43H90N2O2/c1-3-5-7-9-11-13-15-17-19-21-23-25-27-29-31-33-36-44(38-35-39-45(40-42-46)41-43-47)37-34-32-30-28-26-24-22-20-18-16-14-12-10-8-6-4-2/h46-47H,3-43H2,1-2H3
InChIKey
WXNRAKRZUCLRBP-UHFFFAOYSA-N
Compound name
2-[3-(dioctadecylamino)propyl-(2-hydroxyethyl)amino]ethanol
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

72
References

8503
Patents

666.70026 Da
Monoisotopic Mass

17.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 667.70754 298.7
[M+Na]+ 689.68948 304.6
[M-H]- 665.69298 281.4
[M+NH4]+ 684.73408 296.1
[M+K]+ 705.66342 307.6
[M+H-H2O]+ 649.69752 295.5
[M+HCOO]- 711.69846 295.5
[M+CH3COO]- 725.71411 289.5
[M+Na-2H]- 687.67493 277.4
[M]+ 666.69971 294.0
[M]- 666.70081 294.0
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