CID 17793884

N,n,n'',n''-tetrabutyldiethylenetriamine

Structural Information

Molecular Formula
C20H45N3
SMILES
CCCCN(CCCC)CCNCCN(CCCC)CCCC
InChI
InChI=1S/C20H45N3/c1-5-9-15-22(16-10-6-2)19-13-21-14-20-23(17-11-7-3)18-12-8-4/h21H,5-20H2,1-4H3
InChIKey
LLHVBJQIWZHCCV-UHFFFAOYSA-N
Compound name
N',N'-dibutyl-N-[2-(dibutylamino)ethyl]ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

103
Patents

327.36136 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.36864 194.8
[M+Na]+ 350.35058 193.9
[M-H]- 326.35408 195.1
[M+NH4]+ 345.39518 209.4
[M+K]+ 366.32452 192.7
[M+H-H2O]+ 310.35862 185.8
[M+HCOO]- 372.35956 217.9
[M+CH3COO]- 386.37521 230.9
[M+Na-2H]- 348.33603 193.4
[M]+ 327.36081 201.4
[M]- 327.36191 201.4
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