CID 173238

74051-83-5

Structural Information

Molecular Formula
C22H49N5O
SMILES
CCCCCCCCCCCCCC(=O)NCCNCCNCCNCCN
InChI
InChI=1S/C22H49N5O/c1-2-3-4-5-6-7-8-9-10-11-12-13-22(28)27-21-20-26-19-18-25-17-16-24-15-14-23/h24-26H,2-21,23H2,1H3,(H,27,28)
InChIKey
XEBAOWPFXXTTNB-UHFFFAOYSA-N
Compound name
N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]tetradecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

399.3937 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.40098 203.0
[M+Na]+ 422.38292 199.2
[M-H]- 398.38642 199.5
[M+NH4]+ 417.42752 212.1
[M+K]+ 438.35686 195.6
[M+H-H2O]+ 382.39096 192.9
[M+HCOO]- 444.39190 225.3
[M+CH3COO]- 458.40755 241.1
[M+Na-2H]- 420.36837 201.5
[M]+ 399.39315 205.1
[M]- 399.39425 205.1
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

No patent data available for this compound.