CID 204268

1-(4,6-dimethylpyrimidin-2-yl)-3-phenylurea

Structural Information

Molecular Formula
C13H14N4O
SMILES
CC1=CC(=NC(=N1)NC(=O)NC2=CC=CC=C2)C
InChI
InChI=1S/C13H14N4O/c1-9-8-10(2)15-12(14-9)17-13(18)16-11-6-4-3-5-7-11/h3-8H,1-2H3,(H2,14,15,16,17,18)
InChIKey
MPVBQYNJWXEWMM-UHFFFAOYSA-N
Compound name
1-(4,6-dimethylpyrimidin-2-yl)-3-phenylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

3
References

1
Patents

242.11676 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 243.124036 155.3
[M+Na]+ 265.105978 162.6
[M-H]- 241.109484 159.7
[M+NH4]+ 260.150583 169.5
[M+K]+ 281.079918 158.8
[M+H-H2O]+ 225.114020 146.0
[M+HCOO]- 287.114961 178.9
[M+CH3COO]- 301.130611 197.3
[M+Na-2H]- 263.091426 162.3
[M]+ 242.11621142 154.3
[M]- 242.11730858 154.3
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