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]+ 346.176126 184.4
[M+Na]+ 368.158068 187.3
[M-H]- 344.161574 186.5
[M+NH4]+ 363.202673 189.7
[M+K]+ 384.132008 183.1
[M+H-H2O]+ 328.166110 173.1
[M+HCOO]- 390.167051 193.6
[M+CH3COO]- 404.182701 206.1
[M+Na-2H]- 366.143516 184.1
[M]+ 345.16830142 178.2
[M]- 345.16939858 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.