CID 3357811

3,3'-hexamethylenebis(1,1-dibutylurea)

Structural Information

Molecular Formula
C24H50N4O2
SMILES
CCCCN(CCCC)C(=O)NCCCCCCNC(=O)N(CCCC)CCCC
InChI
InChI=1S/C24H50N4O2/c1-5-9-19-27(20-10-6-2)23(29)25-17-15-13-14-16-18-26-24(30)28(21-11-7-3)22-12-8-4/h5-22H2,1-4H3,(H,25,29)(H,26,30)
InChIKey
ZANFZAOFMKFGQZ-UHFFFAOYSA-N
Compound name
1,1-dibutyl-3-[6-(dibutylcarbamoylamino)hexyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

32
Patents

426.39337 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 427.40065 220.5
[M+Na]+ 449.38259 217.4
[M-H]- 425.38609 245.1
[M+NH4]+ 444.42719 249.5
[M+K]+ 465.35653 216.5
[M+H-H2O]+ 409.39063 210.4
[M+HCOO]- 471.39157 245.7
[M+CH3COO]- 485.40722 248.7
[M+Na-2H]- 447.36804 215.2
[M]+ 426.39282 227.6
[M]- 426.39392 227.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe