CID 3043227

Urea, n,n''-(1,4-piperazinediyldi-3,1-propanediyl)bis(n'-ethyl-

Structural Information

Molecular Formula
C16H34N6O2
SMILES
CCNC(=O)NCCCN1CCN(CC1)CCCNC(=O)NCC
InChI
InChI=1S/C16H34N6O2/c1-3-17-15(23)19-7-5-9-21-11-13-22(14-12-21)10-6-8-20-16(24)18-4-2/h3-14H2,1-2H3,(H2,17,19,23)(H2,18,20,24)
InChIKey
ZBPHPIWIVYTCIQ-UHFFFAOYSA-N
Compound name
1-ethyl-3-[3-[4-[3-(ethylcarbamoylamino)propyl]piperazin-1-yl]propyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

342.27432 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 343.28160 185.2
[M+Na]+ 365.26354 184.2
[M-H]- 341.26704 184.0
[M+NH4]+ 360.30814 194.5
[M+K]+ 381.23748 182.3
[M+H-H2O]+ 325.27158 175.0
[M+HCOO]- 387.27252 203.6
[M+CH3COO]- 401.28817 222.1
[M+Na-2H]- 363.24899 185.9
[M]+ 342.27377 181.7
[M]- 342.27487 181.7
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.