CID 9837373

151331-81-6

Structural Information

Molecular Formula
C7H10N4O3
SMILES
COC1=CC(=NC(=N1)NC(=O)N)OC
InChI
InChI=1S/C7H10N4O3/c1-13-4-3-5(14-2)10-7(9-4)11-6(8)12/h3H,1-2H3,(H3,8,9,10,11,12)
InChIKey
BNOVYBVKWYHEMQ-UHFFFAOYSA-N
Compound name
(4,6-dimethoxypyrimidin-2-yl)urea
Related CIDs

2D Structure

compound 2d structure
5
Annotation Hits

1
References

146
Patents

198.07529 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 199.08257 140.1
[M+Na]+ 221.06451 148.5
[M-H]- 197.06801 141.4
[M+NH4]+ 216.10911 156.1
[M+K]+ 237.03845 147.7
[M+H-H2O]+ 181.07255 132.2
[M+HCOO]- 243.07349 164.1
[M+CH3COO]- 257.08914 187.9
[M+Na-2H]- 219.04996 146.5
[M]+ 198.07474 141.5
[M]- 198.07584 141.5
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