CID 105542

26392-63-2

Structural Information

Molecular Formula
C17H39N5O
SMILES
CCCCCCCCC(=O)NCCNCCNCCNCCN
InChI
InChI=1S/C17H39N5O/c1-2-3-4-5-6-7-8-17(23)22-16-15-21-14-13-20-12-11-19-10-9-18/h19-21H,2-16,18H2,1H3,(H,22,23)
InChIKey
VKWZDXGYNMWHQU-UHFFFAOYSA-N
Compound name
N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]nonanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

0
Patents

329.31546 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 330.32274 182.8
[M+Na]+ 352.30468 181.1
[M-H]- 328.30818 180.3
[M+NH4]+ 347.34928 194.8
[M+K]+ 368.27862 178.6
[M+H-H2O]+ 312.31272 173.6
[M+HCOO]- 374.31366 206.8
[M+CH3COO]- 388.32931 226.4
[M+Na-2H]- 350.29013 183.6
[M]+ 329.31491 183.1
[M]- 329.31601 183.1
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.