CID 567798

3-(5-chloro-2-methylphenyl)-1,1-diethylurea

Structural Information

Molecular Formula
C12H17ClN2O
SMILES
CCN(CC)C(=O)NC1=C(C=CC(=C1)Cl)C
InChI
InChI=1S/C12H17ClN2O/c1-4-15(5-2)12(16)14-11-8-10(13)7-6-9(11)3/h6-8H,4-5H2,1-3H3,(H,14,16)
InChIKey
UBQZPNHEIZEAQH-UHFFFAOYSA-N
Compound name
3-(5-chloro-2-methylphenyl)-1,1-diethylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

240.10294 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 241.110216 155.3
[M+Na]+ 263.092158 162.7
[M-H]- 239.095664 160.4
[M+NH4]+ 258.136763 174.4
[M+K]+ 279.066098 159.8
[M+H-H2O]+ 223.100200 149.5
[M+HCOO]- 285.101141 176.3
[M+CH3COO]- 299.116791 200.3
[M+Na-2H]- 261.077606 158.4
[M]+ 240.10239142 158.9
[M]- 240.10348858 158.9
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.