CID 897033

N-(1,3-benzodioxol-5-yl)-n'-(3-chlorophenyl)urea

Structural Information

Molecular Formula
C14H11ClN2O3
SMILES
C1OC2=C(O1)C=C(C=C2)NC(=O)NC3=CC(=CC=C3)Cl
InChI
InChI=1S/C14H11ClN2O3/c15-9-2-1-3-10(6-9)16-14(18)17-11-4-5-12-13(7-11)20-8-19-12/h1-7H,8H2,(H2,16,17,18)
InChIKey
WOQALLDWGMKWRR-UHFFFAOYSA-N
Compound name
1-(1,3-benzodioxol-5-yl)-3-(3-chlorophenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

0
Patents

290.0458 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 291.05308 164.4
[M+Na]+ 313.03502 172.4
[M-H]- 289.03852 173.5
[M+NH4]+ 308.07962 180.2
[M+K]+ 329.00896 169.8
[M+H-H2O]+ 273.04306 158.0
[M+HCOO]- 335.04400 183.3
[M+CH3COO]- 349.05965 176.8
[M+Na-2H]- 311.02047 171.0
[M]+ 290.04525 167.5
[M]- 290.04635 167.5
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

No patent data available for this compound.