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]+ 297.155746 167.0
[M+Na]+ 319.137688 170.0
[M-H]- 295.141194 167.7
[M+NH4]+ 314.182293 179.6
[M+K]+ 335.111628 168.0
[M+H-H2O]+ 279.145730 159.0
[M+HCOO]- 341.146671 190.4
[M+CH3COO]- 355.162321 207.9
[M+Na-2H]- 317.123136 169.6
[M]+ 296.14792142 164.9
[M]- 296.14901858 164.9
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.