CID 267830

1-(2-chloroethyl)-3-(p-ethylphenyl)urea

Structural Information

Molecular Formula
C11H15ClN2O
SMILES
CCC1=CC=C(C=C1)NC(=O)NCCCl
InChI
InChI=1S/C11H15ClN2O/c1-2-9-3-5-10(6-4-9)14-11(15)13-8-7-12/h3-6H,2,7-8H2,1H3,(H2,13,14,15)
InChIKey
ZHYNQODKDFBRDD-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(4-ethylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

3
Patents

226.0873 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.09458 150.8
[M+Na]+ 249.07652 157.5
[M-H]- 225.08002 154.2
[M+NH4]+ 244.12112 169.5
[M+K]+ 265.05046 153.4
[M+H-H2O]+ 209.08456 145.1
[M+HCOO]- 271.08550 171.7
[M+CH3COO]- 285.10115 192.7
[M+Na-2H]- 247.06197 156.0
[M]+ 226.08675 152.3
[M]- 226.08785 152.3
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