CID 111646

Tetraethylenetetramine decanoamide

Structural Information

Molecular Formula
C18H41N5O
SMILES
CCCCCCCCCC(=O)NCCNCCNCCNCCN
InChI
InChI=1S/C18H41N5O/c1-2-3-4-5-6-7-8-9-18(24)23-17-16-22-15-14-21-13-12-20-11-10-19/h20-22H,2-17,19H2,1H3,(H,23,24)
InChIKey
HPVWQYBTEBHXHL-UHFFFAOYSA-N
Compound name
N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]decanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

343.33112 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 344.33840 186.9
[M+Na]+ 366.32034 184.8
[M-H]- 342.32384 184.2
[M+NH4]+ 361.36494 198.3
[M+K]+ 382.29428 182.0
[M+H-H2O]+ 326.32838 177.5
[M+HCOO]- 388.32932 210.5
[M+CH3COO]- 402.34497 229.3
[M+Na-2H]- 364.30579 187.2
[M]+ 343.33057 187.5
[M]- 343.33167 187.5
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