CID 853562

5244-43-9

Structural Information

Molecular Formula
C11H10N4O
SMILES
C1=CC=C(C=C1)NC(=O)NC2=NC=CC=N2
InChI
InChI=1S/C11H10N4O/c16-11(14-9-5-2-1-3-6-9)15-10-12-7-4-8-13-10/h1-8H,(H2,12,13,14,15,16)
InChIKey
FGIXXUFWNVKYHA-UHFFFAOYSA-N
Compound name
1-phenyl-3-pyrimidin-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

214.08546 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 215.09274 144.8
[M+Na]+ 237.07468 151.2
[M-H]- 213.07818 148.8
[M+NH4]+ 232.11928 159.5
[M+K]+ 253.04862 147.8
[M+H-H2O]+ 197.08272 135.5
[M+HCOO]- 259.08366 169.1
[M+CH3COO]- 273.09931 189.0
[M+Na-2H]- 235.06013 154.6
[M]+ 214.08491 142.4
[M]- 214.08601 142.4
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.