CID 6482477

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

Structural Information

Molecular Formula
C12H12N4O2
SMILES
COC1=CC=CC=C1NC(=O)NC2=NC=CC=N2
InChI
InChI=1S/C12H12N4O2/c1-18-10-6-3-2-5-9(10)15-12(17)16-11-13-7-4-8-14-11/h2-8H,1H3,(H2,13,14,15,16,17)
InChIKey
GXYOZSYPYJYJLZ-UHFFFAOYSA-N
Compound name
1-(2-methoxyphenyl)-3-pyrimidin-2-ylurea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

244.09602 Da
Monoisotopic Mass

1.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 245.10330 152.8
[M+Na]+ 267.08524 159.5
[M-H]- 243.08874 157.0
[M+NH4]+ 262.12984 166.5
[M+K]+ 283.05918 156.5
[M+H-H2O]+ 227.09328 143.2
[M+HCOO]- 289.09422 176.9
[M+CH3COO]- 303.10987 195.3
[M+Na-2H]- 265.07069 161.2
[M]+ 244.09547 152.5
[M]- 244.09657 152.5
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.