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]+ 249.05378 151.7
[M+Na]+ 271.03572 159.6
[M-H]- 247.03922 155.7
[M+NH4]+ 266.08032 166.1
[M+K]+ 287.00966 154.6
[M+H-H2O]+ 231.04376 143.0
[M+HCOO]- 293.04470 171.3
[M+CH3COO]- 307.06035 193.8
[M+Na-2H]- 269.02117 160.0
[M]+ 248.04595 151.7
[M]- 248.04705 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