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

57
Patents

327.36136 Da
Monoisotopic Mass

4.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 328.368636 194.8
[M+Na]+ 350.350578 193.9
[M-H]- 326.354084 195.1
[M+NH4]+ 345.395183 209.4
[M+K]+ 366.324518 192.7
[M+H-H2O]+ 310.358620 185.8
[M+HCOO]- 372.359561 217.9
[M+CH3COO]- 386.375211 230.9
[M+Na-2H]- 348.336026 193.4
[M]+ 327.36081142 201.4
[M]- 327.36190858 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