CID 3039453

Brn 0811019

Structural Information

Molecular Formula
C14H15N3O3
SMILES
C1COCCN1C2=NC(=O)C(C(=O)N2)C3=CC=CC=C3
InChI
InChI=1S/C14H15N3O3/c18-12-11(10-4-2-1-3-5-10)13(19)16-14(15-12)17-6-8-20-9-7-17/h1-5,11H,6-9H2,(H,15,16,18,19)
InChIKey
HFXVZVTUKFTMMK-UHFFFAOYSA-N
Compound name
2-morpholin-4-yl-5-phenyl-1H-pyrimidine-4,6-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

273.11133 Da
Monoisotopic Mass

0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 274.118606 164.6
[M+Na]+ 296.100548 170.3
[M-H]- 272.104054 168.7
[M+NH4]+ 291.145153 173.8
[M+K]+ 312.074488 166.5
[M+H-H2O]+ 256.108590 153.7
[M+HCOO]- 318.109531 177.5
[M+CH3COO]- 332.125181 173.7
[M+Na-2H]- 294.085996 167.7
[M]+ 273.11078142 158.0
[M]- 273.11187858 158.0
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.