CID 3118322

2-methoxyethyl 4-(2-chloro-4-oxo-4h-pyrido[1,2-a]pyrimidin-3-yl)-6-methyl-2-oxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate

Structural Information

Molecular Formula
C17H17ClN4O5
SMILES
CC1=C(C(NC(=O)N1)C2=C(N=C3C=CC=CN3C2=O)Cl)C(=O)OCCOC
InChI
InChI=1S/C17H17ClN4O5/c1-9-11(16(24)27-8-7-26-2)13(21-17(25)19-9)12-14(18)20-10-5-3-4-6-22(10)15(12)23/h3-6,13H,7-8H2,1-2H3,(H2,19,21,25)
InChIKey
RGULZYWINVBGFW-UHFFFAOYSA-N
Compound name
2-methoxyethyl 4-(2-chloro-4-oxopyrido[1,2-a]pyrimidin-3-yl)-6-methyl-2-oxo-3,4-dihydro-1H-pyrimidine-5-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

392.08875 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.09603 188.3
[M+Na]+ 415.07797 197.8
[M-H]- 391.08147 188.3
[M+NH4]+ 410.12257 194.8
[M+K]+ 431.05191 191.3
[M+H-H2O]+ 375.08601 178.4
[M+HCOO]- 437.08695 195.7
[M+CH3COO]- 451.10260 215.6
[M+Na-2H]- 413.06342 189.6
[M]+ 392.08820 191.4
[M]- 392.08930 191.4
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

No patent data available for this compound.