CID 208132

Uracil, 1,3-dimethyl-5-(o-tolylurea)-

Structural Information

Molecular Formula
C14H16N4O3
SMILES
CC1=CC=CC=C1NC(=O)NC2=CC(=O)N(C(=O)N2C)C
InChI
InChI=1S/C14H16N4O3/c1-9-6-4-5-7-10(9)15-13(20)16-11-8-12(19)18(3)14(21)17(11)2/h4-8H,1-3H3,(H2,15,16,20)
InChIKey
KJKNMVLGSIJPKQ-UHFFFAOYSA-N
Compound name
1-(1,3-dimethyl-2,6-dioxopyrimidin-4-yl)-3-(2-methylphenyl)urea
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

288.12225 Da
Monoisotopic Mass

0.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 289.12953 165.4
[M+Na]+ 311.11147 178.5
[M+NH4]+ 306.15607 170.6
[M+K]+ 327.08541 173.2
[M-H]- 287.11497 168.1
[M+Na-2H]- 309.09692 172.2
[M]+ 288.12170 167.7
[M]- 288.12280 167.7
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.