CID 3486987

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

Structural Information

Molecular Formula
C15H23ClN2O
SMILES
CC(C)CN(CC(C)C)C(=O)NC1=CC=CC=C1Cl
InChI
InChI=1S/C15H23ClN2O/c1-11(2)9-18(10-12(3)4)15(19)17-14-8-6-5-7-13(14)16/h5-8,11-12H,9-10H2,1-4H3,(H,17,19)
InChIKey
ZKWHIHJKUJWALJ-UHFFFAOYSA-N
Compound name
3-(2-chlorophenyl)-1,1-bis(2-methylpropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

282.1499 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.15718 168.4
[M+Na]+ 305.13912 178.5
[M+NH4]+ 300.18372 175.9
[M+K]+ 321.11306 172.5
[M-H]- 281.14262 171.0
[M+Na-2H]- 303.12457 173.3
[M]+ 282.14935 170.7
[M]- 282.15045 170.7
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