CID 56842804

Einecs 253-281-9

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 180.2
[M+Na]+ 341.21592 180.2
[M-H]- 317.21942 179.1
[M+NH4]+ 336.26052 193.0
[M+K]+ 357.18986 181.2
[M+H-H2O]+ 301.22396 171.8
[M+HCOO]- 363.22490 202.8
[M+CH3COO]- 377.24055 218.8
[M+Na-2H]- 339.20137 179.2
[M]+ 318.22615 182.5
[M]- 318.22725 182.5
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.