CID 269028

1-(3-chlorophenyl)-3-propylurea

Structural Information

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

2D Structure

compound 2d structure
1
Annotation Hits

0
References

13
Patents

212.07164 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 213.07892 146.2
[M+Na]+ 235.06086 153.4
[M-H]- 211.06436 149.8
[M+NH4]+ 230.10546 165.4
[M+K]+ 251.03480 149.4
[M+H-H2O]+ 195.06890 140.7
[M+HCOO]- 257.06984 167.4
[M+CH3COO]- 271.08549 189.7
[M+Na-2H]- 233.04631 151.9
[M]+ 212.07109 147.4
[M]- 212.07219 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

No literature data available for this compound.

Patent stripe

patents stripe