CID 853787

3-(3-chlorophenyl)-1,1-diisobutylurea

Structural Information

Molecular Formula
C15H23ClN2O
SMILES
CC(C)CN(CC(C)C)C(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C15H23ClN2O/c1-11(2)9-18(10-12(3)4)15(19)17-14-7-5-6-13(16)8-14/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)
InChIKey
BSBKYEVXYCTQTH-UHFFFAOYSA-N
Compound name
3-(3-chlorophenyl)-1,1-bis(2-methylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

282.1499 Da
Monoisotopic Mass

4.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15718 169.6
[M+Na]+ 305.13912 174.3
[M-H]- 281.14262 174.0
[M+NH4]+ 300.18372 186.6
[M+K]+ 321.11306 171.6
[M+H-H2O]+ 265.14716 163.3
[M+HCOO]- 327.14810 187.7
[M+CH3COO]- 341.16375 209.9
[M+Na-2H]- 303.12457 169.5
[M]+ 282.14935 172.8
[M]- 282.15045 172.8
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.