CID 3048008

Toluene, 2,3-bis(3-(2-hydroxyethyl)ureido)-

Structural Information

Molecular Formula
C13H20N4O4
SMILES
CC1=C(C(=CC=C1)NC(=O)NCCO)NC(=O)NCCO
InChI
InChI=1S/C13H20N4O4/c1-9-3-2-4-10(16-12(20)14-5-7-18)11(9)17-13(21)15-6-8-19/h2-4,18-19H,5-8H2,1H3,(H2,14,16,20)(H2,15,17,21)
InChIKey
YBAQBMKRLVJMKO-UHFFFAOYSA-N
Compound name
1-(2-hydroxyethyl)-3-[2-(2-hydroxyethylcarbamoylamino)-3-methylphenyl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

296.14847 Da
Monoisotopic Mass

-1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.15575 169.5
[M+Na]+ 319.13769 174.5
[M+NH4]+ 314.18229 173.0
[M+K]+ 335.11163 171.8
[M-H]- 295.14119 169.6
[M+Na-2H]- 317.12314 171.2
[M]+ 296.14792 169.3
[M]- 296.14902 169.3
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.