CID 121078

Brn 2388558

Structural Information

Molecular Formula
C14H20Cl2N2O3
SMILES
CCOC(CN(C)C(=O)NC1=C(C(=CC=C1)Cl)Cl)OCC
InChI
InChI=1S/C14H20Cl2N2O3/c1-4-20-12(21-5-2)9-18(3)14(19)17-11-8-6-7-10(15)13(11)16/h6-8,12H,4-5,9H2,1-3H3,(H,17,19)
InChIKey
JBQJONGUJNMFPO-UHFFFAOYSA-N
Compound name
3-(2,3-dichlorophenyl)-1-(2,2-diethoxyethyl)-1-methylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

334.08508 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.09236 175.1
[M+Na]+ 357.07430 181.6
[M-H]- 333.07780 179.3
[M+NH4]+ 352.11890 190.6
[M+K]+ 373.04824 178.4
[M+H-H2O]+ 317.08234 169.6
[M+HCOO]- 379.08328 190.0
[M+CH3COO]- 393.09893 215.4
[M+Na-2H]- 355.05975 175.6
[M]+ 334.08453 182.9
[M]- 334.08563 182.9
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.