CID 764705

3-(3-chlorophenyl)-1,1-diisopropylurea

Structural Information

Molecular Formula
C13H19ClN2O
SMILES
CC(C)N(C(C)C)C(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C13H19ClN2O/c1-9(2)16(10(3)4)13(17)15-12-7-5-6-11(14)8-12/h5-10H,1-4H3,(H,15,17)
InChIKey
DCLJPFHSPJTWOC-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1,1-di(propan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

0
Patents

254.11859 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.12587 160.2
[M+Na]+ 277.10781 165.7
[M-H]- 253.11131 164.9
[M+NH4]+ 272.15241 178.2
[M+K]+ 293.08175 163.5
[M+H-H2O]+ 237.11585 154.2
[M+HCOO]- 299.11679 179.0
[M+CH3COO]- 313.13244 204.0
[M+Na-2H]- 275.09326 161.1
[M]+ 254.11804 162.6
[M]- 254.11914 162.6
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe