CID 754340

1-tert-butyl-3-(3-chlorophenyl)urea

Structural Information

Molecular Formula
C11H15ClN2O
SMILES
CC(C)(C)NC(=O)NC1=CC(=CC=C1)Cl
InChI
InChI=1S/C11H15ClN2O/c1-11(2,3)14-10(15)13-9-6-4-5-8(12)7-9/h4-7H,1-3H3,(H2,13,14,15)
InChIKey
YNEOHINYTJZRNL-UHFFFAOYSA-N
Compound name
1-tert-butyl-3-(3-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

2
Patents

226.0873 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09458 151.1
[M+Na]+ 249.07652 162.3
[M+NH4]+ 244.12112 159.1
[M+K]+ 265.05046 156.2
[M-H]- 225.08002 153.4
[M+Na-2H]- 247.06197 157.4
[M]+ 226.08675 153.5
[M]- 226.08785 153.5
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