CID 4171803

3-(2-chlorophenyl)-1,1-diisopropylurea

Structural Information

Molecular Formula
C13H19ClN2O
SMILES
CC(C)N(C(C)C)C(=O)NC1=CC=CC=C1Cl
InChI
InChI=1S/C13H19ClN2O/c1-9(2)16(10(3)4)13(17)15-12-8-6-5-7-11(12)14/h5-10H,1-4H3,(H,15,17)
InChIKey
RIIDSSDXCJINLM-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-1,1-di(propan-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

254.11859 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 255.125866 160.2
[M+Na]+ 277.107808 165.7
[M-H]- 253.111314 164.9
[M+NH4]+ 272.152413 178.2
[M+K]+ 293.081748 163.5
[M+H-H2O]+ 237.115850 154.2
[M+HCOO]- 299.116791 179.0
[M+CH3COO]- 313.132441 204.0
[M+Na-2H]- 275.093256 161.1
[M]+ 254.11804142 162.6
[M]- 254.11913858 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

No literature data available for this compound.

Patent stripe

patents stripe