CID 173221

Einecs 277-601-1

Structural Information

Molecular Formula
C20H45N5O
SMILES
CCCCCCCCCCCC(=O)NCCNCCNCCNCCN
InChI
InChI=1S/C20H45N5O/c1-2-3-4-5-6-7-8-9-10-11-20(26)25-19-18-24-17-16-23-15-14-22-13-12-21/h22-24H,2-19,21H2,1H3,(H,25,26)
InChIKey
BYPXXACLPKXOFX-UHFFFAOYSA-N
Compound name
N-[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]dodecanamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

13
Patents

371.3624 Da
Monoisotopic Mass

2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 372.36968 195.0
[M+Na]+ 394.35162 192.1
[M-H]- 370.35512 191.9
[M+NH4]+ 389.39622 205.3
[M+K]+ 410.32556 188.8
[M+H-H2O]+ 354.35966 185.2
[M+HCOO]- 416.36060 218.0
[M+CH3COO]- 430.37625 235.2
[M+Na-2H]- 392.33707 194.4
[M]+ 371.36185 196.4
[M]- 371.36295 196.4
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