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 180.7
[M+Na]+ 353.13912 186.8
[M-H]- 329.14262 188.5
[M+NH4]+ 348.18372 195.8
[M+K]+ 369.11306 182.3
[M+H-H2O]+ 313.14716 173.2
[M+HCOO]- 375.14810 199.2
[M+CH3COO]- 389.16375 216.6
[M+Na-2H]- 351.12457 183.6
[M]+ 330.14935 183.9
[M]- 330.15045 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.