CID 840362

N-(3-chlorophenyl)-n'-(2-pyrimidinyl)urea

Structural Information

Molecular Formula
C11H9ClN4O
SMILES
C1=CC(=CC(=C1)Cl)NC(=O)NC2=NC=CC=N2
InChI
InChI=1S/C11H9ClN4O/c12-8-3-1-4-9(7-8)15-11(17)16-10-13-5-2-6-14-10/h1-7H,(H2,13,14,15,16,17)
InChIKey
LQRAHKARGZOZSN-UHFFFAOYSA-N
Compound name
1-(3-chlorophenyl)-3-pyrimidin-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
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

literature stripe

Patent stripe

patents stripe