CID 88930

Tetraethylenepentamine, urea amide

Structural Information

Molecular Formula
C17H44N10O
SMILES
C(CNCCNCCNCCNC(=O)NCCNCCNCCNCCN)N
InChI
InChI=1S/C17H44N10O/c18-1-3-20-5-7-22-9-11-24-13-15-26-17(28)27-16-14-25-12-10-23-8-6-21-4-2-19/h20-25H,1-16,18-19H2,(H2,26,27,28)
InChIKey
CJHLBUPFEOHCOQ-UHFFFAOYSA-N
Compound name
1,3-bis[2-[2-[2-(2-aminoethylamino)ethylamino]ethylamino]ethyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

404.36996 Da
Monoisotopic Mass

-5.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 405.37724 176.3
[M+Na]+ 427.35918 171.2
[M-H]- 403.36268 173.9
[M+NH4]+ 422.40378 183.3
[M+K]+ 443.33312 170.8
[M+H-H2O]+ 387.36722 164.6
[M+HCOO]- 449.36816 204.2
[M+CH3COO]- 463.38381 252.1
[M+Na-2H]- 425.34463 179.9
[M]+ 404.36941 171.9
[M]- 404.37051 171.9
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.