CID 269029

1-(4-chlorophenyl)-3-propylurea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

4
Patents

212.07164 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07892 145.6
[M+Na]+ 235.06086 157.3
[M+NH4]+ 230.10546 153.9
[M+K]+ 251.03480 150.2
[M-H]- 211.06436 148.5
[M+Na-2H]- 233.04631 152.3
[M]+ 212.07109 148.2
[M]- 212.07219 148.2
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

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