CID 45051166

N-benzyl-n-(tert-butyl)-n'-(3-chloro-4-methylphenyl)urea

Structural Information

Molecular Formula
C19H23ClN2O
SMILES
CC1=C(C=C(C=C1)NC(=O)N(CC2=CC=CC=C2)C(C)(C)C)Cl
InChI
InChI=1S/C19H23ClN2O/c1-14-10-11-16(12-17(14)20)21-18(23)22(19(2,3)4)13-15-8-6-5-7-9-15/h5-12H,13H2,1-4H3,(H,21,23)
InChIKey
GVYLJPRNTJZWCZ-UHFFFAOYSA-N
Compound name
1-benzyl-1-tert-butyl-3-(3-chloro-4-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

330.1499 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 331.15718 181.4
[M+Na]+ 353.13912 194.5
[M+NH4]+ 348.18372 189.5
[M+K]+ 369.11306 186.7
[M-H]- 329.14262 186.7
[M+Na-2H]- 351.12457 189.9
[M]+ 330.14935 185.2
[M]- 330.15045 185.2
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.