CID 3021213

Urea, (2-(4-chlorophenoxy)-1,2-dimethylpropyl)-

Structural Information

Molecular Formula
C12H17ClN2O2
SMILES
CC(C(C)(C)OC1=CC=C(C=C1)Cl)NC(=O)N
InChI
InChI=1S/C12H17ClN2O2/c1-8(15-11(14)16)12(2,3)17-10-6-4-9(13)5-7-10/h4-8H,1-3H3,(H3,14,15,16)
InChIKey
DYKDTKHJLGBGPY-UHFFFAOYSA-N
Compound name
[3-(4-chlorophenoxy)-3-methylbutan-2-yl]urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

256.09787 Da
Monoisotopic Mass

2.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 257.105146 158.2
[M+Na]+ 279.087088 164.5
[M-H]- 255.090594 161.3
[M+NH4]+ 274.131693 175.3
[M+K]+ 295.061028 161.4
[M+H-H2O]+ 239.095130 152.9
[M+HCOO]- 301.096071 175.8
[M+CH3COO]- 315.111721 199.1
[M+Na-2H]- 277.072536 161.4
[M]+ 256.09732142 159.5
[M]- 256.09841858 159.5
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.