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

3
Patents

212.07164 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.078916 146.2
[M+Na]+ 235.060858 153.4
[M-H]- 211.064364 149.8
[M+NH4]+ 230.105463 165.4
[M+K]+ 251.034798 149.4
[M+H-H2O]+ 195.068900 140.7
[M+HCOO]- 257.069841 167.4
[M+CH3COO]- 271.085491 189.7
[M+Na-2H]- 233.046306 151.9
[M]+ 212.07109142 147.4
[M]- 212.07218858 147.4
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