CID 6482478

1-(2-ethoxyphenyl)-3-pyrimidin-2-yl-urea

Structural Information

Molecular Formula
C13H14N4O2
SMILES
CCOC1=CC=CC=C1NC(=O)NC2=NC=CC=N2
InChI
InChI=1S/C13H14N4O2/c1-2-19-11-7-4-3-6-10(11)16-13(18)17-12-14-8-5-9-15-12/h3-9H,2H2,1H3,(H2,14,15,16,17,18)
InChIKey
VKRAFUSHGZJBOF-UHFFFAOYSA-N
Compound name
1-(2-ethoxyphenyl)-3-pyrimidin-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

258.11166 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 259.11894 157.2
[M+Na]+ 281.10088 163.5
[M-H]- 257.10438 161.3
[M+NH4]+ 276.14548 170.3
[M+K]+ 297.07482 160.2
[M+H-H2O]+ 241.10892 147.4
[M+HCOO]- 303.10986 181.0
[M+CH3COO]- 317.12551 198.3
[M+Na-2H]- 279.08633 165.2
[M]+ 258.11111 157.3
[M]- 258.11221 157.3
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

No patent data available for this compound.