CID 3021156

87706-78-3

Structural Information

Molecular Formula
C22H48N4O
SMILES
CCCCCCCCCCCCCCCC(=O)NCCNCCNCCN
InChI
InChI=1S/C22H48N4O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-22(27)26-21-20-25-19-18-24-17-16-23/h24-25H,2-21,23H2,1H3,(H,26,27)
InChIKey
VHZCVFYXWVNUHI-UHFFFAOYSA-N
Compound name
N-[2-[2-(2-aminoethylamino)ethylamino]ethyl]hexadecanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

384.3828 Da
Monoisotopic Mass

5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 385.39008 202.9
[M+Na]+ 407.37202 199.9
[M-H]- 383.37552 199.4
[M+NH4]+ 402.41662 213.0
[M+K]+ 423.34596 196.0
[M+H-H2O]+ 367.38006 193.3
[M+HCOO]- 429.38100 224.2
[M+CH3COO]- 443.39665 235.9
[M+Na-2H]- 405.35747 200.7
[M]+ 384.38225 205.8
[M]- 384.38335 205.8
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.