CID 4347087

3-(4-chloro-2-methylphenyl)-1,1-dibutylurea

Structural Information

Molecular Formula
C16H25ClN2O
SMILES
CCCCN(CCCC)C(=O)NC1=C(C=C(C=C1)Cl)C
InChI
InChI=1S/C16H25ClN2O/c1-4-6-10-19(11-7-5-2)16(20)18-15-9-8-14(17)12-13(15)3/h8-9,12H,4-7,10-11H2,1-3H3,(H,18,20)
InChIKey
VWNILTMMJQSIIE-UHFFFAOYSA-N
Compound name
1,1-dibutyl-3-(4-chloro-2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

296.16553 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 297.17281 172.5
[M+Na]+ 319.15475 183.5
[M+NH4]+ 314.19935 180.1
[M+K]+ 335.12869 175.8
[M-H]- 295.15825 175.6
[M+Na-2H]- 317.14020 177.7
[M]+ 296.16498 175.1
[M]- 296.16608 175.1
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