CID 109516

Isostearic acid, diethylenetriamine amide

Structural Information

Molecular Formula
C22H47N3O
SMILES
CC(C)CCCCCCCCCCCCCCC(=O)NCCNCCN
InChI
InChI=1S/C22H47N3O/c1-21(2)15-13-11-9-7-5-3-4-6-8-10-12-14-16-22(26)25-20-19-24-18-17-23/h21,24H,3-20,23H2,1-2H3,(H,25,26)
InChIKey
RKMFMBSBWOHLPQ-UHFFFAOYSA-N
Compound name
N-[2-(2-aminoethylamino)ethyl]-16-methylheptadecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

3
Patents

369.37192 Da
Monoisotopic Mass

6.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 370.37920 204.0
[M+Na]+ 392.36114 201.7
[M-H]- 368.36464 200.7
[M+NH4]+ 387.40574 215.1
[M+K]+ 408.33508 198.0
[M+H-H2O]+ 352.36918 195.1
[M+HCOO]- 414.37012 223.3
[M+CH3COO]- 428.38577 231.5
[M+Na-2H]- 390.34659 199.8
[M]+ 369.37137 207.1
[M]- 369.37247 207.1
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