CID 303366

1-(4-chloro-phenyl)-3-pyrimidin-2-yl-urea

Structural Information

Molecular Formula
C11H9ClN4O
SMILES
C1=CN=C(N=C1)NC(=O)NC2=CC=C(C=C2)Cl
InChI
InChI=1S/C11H9ClN4O/c12-8-2-4-9(5-3-8)15-11(17)16-10-13-6-1-7-14-10/h1-7H,(H2,13,14,15,16,17)
InChIKey
MXJHNLOYYPEQHJ-UHFFFAOYSA-N
Compound name
1-(4-chlorophenyl)-3-pyrimidin-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

248.0465 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 249.053776 151.7
[M+Na]+ 271.035718 159.6
[M-H]- 247.039224 155.7
[M+NH4]+ 266.080323 166.1
[M+K]+ 287.009658 154.6
[M+H-H2O]+ 231.043760 143.0
[M+HCOO]- 293.044701 171.3
[M+CH3COO]- 307.060351 193.8
[M+Na-2H]- 269.021166 160.0
[M]+ 248.04595142 151.7
[M]- 248.04704858 151.7
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