CID 4166536

Urea, n-(4-chlorophenyl)-n'-(1-methylethyl)-

Structural Information

Molecular Formula
C10H13ClN2O
SMILES
CC(C)NC(=O)NC1=CC=C(C=C1)Cl
InChI
InChI=1S/C10H13ClN2O/c1-7(2)12-10(14)13-9-5-3-8(11)4-6-9/h3-7H,1-2H3,(H2,12,13,14)
InChIKey
FROBZIOHWNEGPN-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-propan-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

6
Patents

212.07164 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07892 146.6
[M+Na]+ 235.06086 153.5
[M-H]- 211.06436 150.2
[M+NH4]+ 230.10546 165.7
[M+K]+ 251.03480 150.1
[M+H-H2O]+ 195.06890 141.2
[M+HCOO]- 257.06984 166.8
[M+CH3COO]- 271.08549 190.6
[M+Na-2H]- 233.04631 151.0
[M]+ 212.07109 147.1
[M]- 212.07219 147.1
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