CID 3059246

76267-10-2

Structural Information

Molecular Formula
C10H12ClN3O2
SMILES
CCNC(=O)N(C1=CC=C(C=C1)Cl)C(=O)N
InChI
InChI=1S/C10H12ClN3O2/c1-2-13-10(16)14(9(12)15)8-5-3-7(11)4-6-8/h3-6H,2H2,1H3,(H2,12,15)(H,13,16)
InChIKey
AOITUXSYHZBLBI-UHFFFAOYSA-N
Compound name
1-carbamoyl-1-(4-chlorophenyl)-3-ethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

241.0618 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 242.06908 153.3
[M+Na]+ 264.05102 159.7
[M-H]- 240.05452 157.9
[M+NH4]+ 259.09562 171.1
[M+K]+ 280.02496 157.4
[M+H-H2O]+ 224.05906 147.2
[M+HCOO]- 286.06000 174.8
[M+CH3COO]- 300.07565 199.1
[M+Na-2H]- 262.03647 156.2
[M]+ 241.06125 154.0
[M]- 241.06235 154.0
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.