CID 3052610

69094-10-6

Structural Information

Molecular Formula
C18H23N3O4
SMILES
CC1=C(C(NC(=O)N1)C2=CC=CC=C2)C(=O)OCCN3CCOCC3
InChI
InChI=1S/C18H23N3O4/c1-13-15(17(22)25-12-9-21-7-10-24-11-8-21)16(20-18(23)19-13)14-5-3-2-4-6-14/h2-6,16H,7-12H2,1H3,(H2,19,20,23)
InChIKey
HIFNRBMYHXKIDH-UHFFFAOYSA-N
Compound name
2-morpholin-4-ylethyl 6-methyl-2-oxo-4-phenyl-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

345.16885 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.17613 184.4
[M+Na]+ 368.15807 187.3
[M-H]- 344.16157 186.5
[M+NH4]+ 363.20267 189.7
[M+K]+ 384.13201 183.1
[M+H-H2O]+ 328.16611 173.1
[M+HCOO]- 390.16705 193.6
[M+CH3COO]- 404.18270 206.1
[M+Na-2H]- 366.14352 184.1
[M]+ 345.16830 178.2
[M]- 345.16940 178.2
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.