CID 187660

1-(4-chlorophenyl)-3-(3-hydroxypropyl)urea

Structural Information

Molecular Formula
C10H13ClN2O2
SMILES
C1=CC(=CC=C1NC(=O)NCCCO)Cl
InChI
InChI=1S/C10H13ClN2O2/c11-8-2-4-9(5-3-8)13-10(15)12-6-1-7-14/h2-5,14H,1,6-7H2,(H2,12,13,15)
InChIKey
UGIFQFDGIBLLAA-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-(3-hydroxypropyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

36
Patents

228.06656 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.073836 148.9
[M+Na]+ 251.055778 155.5
[M-H]- 227.059284 151.0
[M+NH4]+ 246.100383 166.7
[M+K]+ 267.029718 151.3
[M+H-H2O]+ 211.063820 143.5
[M+HCOO]- 273.064761 168.8
[M+CH3COO]- 287.080411 189.3
[M+Na-2H]- 249.041226 154.2
[M]+ 228.06601142 149.6
[M]- 228.06710858 149.6
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