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 167.0
[M+Na]+ 319.13769 170.0
[M-H]- 295.14119 167.7
[M+NH4]+ 314.18229 179.6
[M+K]+ 335.11163 168.0
[M+H-H2O]+ 279.14573 159.0
[M+HCOO]- 341.14667 190.4
[M+CH3COO]- 355.16232 207.9
[M+Na-2H]- 317.12314 169.6
[M]+ 296.14792 164.9
[M]- 296.14902 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.