CID 45051116

N-benzyl-n-(tert-butyl)-n'-(3-chlorophenyl)urea

Structural Information

Molecular Formula
C18H21ClN2O
SMILES
CC(C)(C)N(CC1=CC=CC=C1)C(=O)NC2=CC(=CC=C2)Cl
InChI
InChI=1S/C18H21ClN2O/c1-18(2,3)21(13-14-8-5-4-6-9-14)17(22)20-16-11-7-10-15(19)12-16/h4-12H,13H2,1-3H3,(H,20,22)
InChIKey
MTJGCDJZJZHMAV-UHFFFAOYSA-N
Compound name
1-benzyl-1-tert-butyl-3-(3-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.13425 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.14153 177.0
[M+Na]+ 339.12347 189.9
[M+NH4]+ 334.16807 185.3
[M+K]+ 355.09741 182.2
[M-H]- 315.12697 182.3
[M+Na-2H]- 337.10892 186.0
[M]+ 316.13370 180.7
[M]- 316.13480 180.7
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

No patent data available for this compound.