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]+ 331.157176 180.7
[M+Na]+ 353.139118 186.8
[M-H]- 329.142624 188.5
[M+NH4]+ 348.183723 195.8
[M+K]+ 369.113058 182.3
[M+H-H2O]+ 313.147160 173.2
[M+HCOO]- 375.148101 199.2
[M+CH3COO]- 389.163751 216.6
[M+Na-2H]- 351.124566 183.6
[M]+ 330.14935142 183.9
[M]- 330.15044858 183.9
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.