CID 101453

3-(3,4-dichlorophenyl)-1,1-bis(2-hydroxyethyl)urea

Structural Information

Molecular Formula
C11H14Cl2N2O3
SMILES
C1=CC(=C(C=C1NC(=O)N(CCO)CCO)Cl)Cl
InChI
InChI=1S/C11H14Cl2N2O3/c12-9-2-1-8(7-10(9)13)14-11(18)15(3-5-16)4-6-17/h1-2,7,16-17H,3-6H2,(H,14,18)
InChIKey
BWVHKDBCZGMBIM-UHFFFAOYSA-N
Compound name
3-(3,4-dichlorophenyl)-1,1-bis(2-hydroxyethyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

292.03815 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 293.04543 161.4
[M+Na]+ 315.02737 168.5
[M-H]- 291.03087 163.2
[M+NH4]+ 310.07197 177.2
[M+K]+ 331.00131 163.8
[M+H-H2O]+ 275.03541 156.9
[M+HCOO]- 337.03635 175.3
[M+CH3COO]- 351.05200 201.0
[M+Na-2H]- 313.01282 163.6
[M]+ 292.03760 164.9
[M]- 292.03870 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

patents stripe