CID 3141105

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

Structural Information

Molecular Formula
C20H42N4O2
SMILES
CCCN(CCC)C(=O)NCCCCCCNC(=O)N(CCC)CCC
InChI
InChI=1S/C20H42N4O2/c1-5-15-23(16-6-2)19(25)21-13-11-9-10-12-14-22-20(26)24(17-7-3)18-8-4/h5-18H2,1-4H3,(H,21,25)(H,22,26)
InChIKey
NLFNPYUYNBAFKK-UHFFFAOYSA-N
Compound name
3-[6-(dipropylcarbamoylamino)hexyl]-1,1-dipropylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

370.33078 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 371.33806 203.2
[M+Na]+ 393.32000 201.8
[M-H]- 369.32350 203.9
[M+NH4]+ 388.36460 215.5
[M+K]+ 409.29394 201.8
[M+H-H2O]+ 353.32804 193.8
[M+HCOO]- 415.32898 226.2
[M+CH3COO]- 429.34463 237.0
[M+Na-2H]- 391.30545 199.8
[M]+ 370.33023 208.7
[M]- 370.33133 208.7
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

patents stripe