CID 56842804

36938-15-5

Structural Information

Molecular Formula
C14H30N4O4
SMILES
CN(CCO)C(=O)NCCCCCCNC(=O)N(C)CCO
InChI
InChI=1S/C14H30N4O4/c1-17(9-11-19)13(21)15-7-5-3-4-6-8-16-14(22)18(2)10-12-20/h19-20H,3-12H2,1-2H3,(H,15,21)(H,16,22)
InChIKey
AKNPWFZCZXNMDM-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-3-[6-[[2-hydroxyethyl(methyl)carbamoyl]amino]hexyl]-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

318.2267 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 319.23398 179.7
[M+Na]+ 341.21592 181.2
[M+NH4]+ 336.26052 182.1
[M+K]+ 357.18986 179.3
[M-H]- 317.21942 177.2
[M+Na-2H]- 339.20137 177.8
[M]+ 318.22615 178.2
[M]- 318.22725 178.2
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.