CID 3399609

1-(3,4-dichlorophenyl)-3-(pyrimidin-2-yl)urea

Structural Information

Molecular Formula
C11H8Cl2N4O
SMILES
C1=CN=C(N=C1)NC(=O)NC2=CC(=C(C=C2)Cl)Cl
InChI
InChI=1S/C11H8Cl2N4O/c12-8-3-2-7(6-9(8)13)16-11(18)17-10-14-4-1-5-15-10/h1-6H,(H2,14,15,16,17,18)
InChIKey
OSSICTUDXQZNKN-UHFFFAOYSA-N
Compound name
1-(3,4-dichlorophenyl)-3-pyrimidin-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

282.0075 Da
Monoisotopic Mass

3.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 283.01478 158.4
[M+Na]+ 304.99672 173.2
[M+NH4]+ 300.04132 166.2
[M+K]+ 320.97066 165.5
[M-H]- 281.00022 162.3
[M+Na-2H]- 302.98217 167.8
[M]+ 282.00695 162.1
[M]- 282.00805 162.1
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.