CID 96663

Urea, 1-(2-chloroethyl)-3-(m-anisyl)-

Structural Information

Molecular Formula
C10H13ClN2O2
SMILES
COC1=CC=CC(=C1)NC(=O)NCCCl
InChI
InChI=1S/C10H13ClN2O2/c1-15-9-4-2-3-8(7-9)13-10(14)12-6-5-11/h2-4,7H,5-6H2,1H3,(H2,12,13,14)
InChIKey
YOLMMVVRCHJMHY-UHFFFAOYSA-N
Compound name
1-(2-chloroethyl)-3-(3-methoxyphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

228.06656 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 229.07384 148.8
[M+Na]+ 251.05578 155.8
[M-H]- 227.05928 152.3
[M+NH4]+ 246.10038 167.3
[M+K]+ 267.02972 152.5
[M+H-H2O]+ 211.06382 143.0
[M+HCOO]- 273.06476 170.2
[M+CH3COO]- 287.08041 191.8
[M+Na-2H]- 249.04123 154.5
[M]+ 228.06601 151.3
[M]- 228.06711 151.3
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