CID 4615302

1-(3-chloro-4-methylphenyl)-3-(2-pyrimidinyl)urea

Structural Information

Molecular Formula
C12H11ClN4O
SMILES
CC1=C(C=C(C=C1)NC(=O)NC2=NC=CC=N2)Cl
InChI
InChI=1S/C12H11ClN4O/c1-8-3-4-9(7-10(8)13)16-12(18)17-11-14-5-2-6-15-11/h2-7H,1H3,(H2,14,15,16,17,18)
InChIKey
YLLAZBVNZTUCKV-UHFFFAOYSA-N
Compound name
1-(3-chloro-4-methylphenyl)-3-pyrimidin-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

262.06213 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 263.06941 156.8
[M+Na]+ 285.05135 171.0
[M+NH4]+ 280.09595 164.4
[M+K]+ 301.02529 163.7
[M-H]- 261.05485 160.9
[M+Na-2H]- 283.03680 166.2
[M]+ 262.06158 160.2
[M]- 262.06268 160.2
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

No patent data available for this compound.