CID 376970

Nsc658170

Structural Information

Molecular Formula
C17H15N3O3
SMILES
CCOC(=O)N(C1=CC=CC=C1)C2=CC(=O)N3C=CC=CC3=N2
InChI
InChI=1S/C17H15N3O3/c1-2-23-17(22)20(13-8-4-3-5-9-13)15-12-16(21)19-11-7-6-10-14(19)18-15/h3-12H,2H2,1H3
InChIKey
WUCYIBRIIMVLOC-UHFFFAOYSA-N
Compound name
ethyl N-(4-oxopyrido[1,2-a]pyrimidin-2-yl)-N-phenylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

309.11133 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 310.11861 169.9
[M+Na]+ 332.10055 177.6
[M-H]- 308.10405 176.1
[M+NH4]+ 327.14515 182.6
[M+K]+ 348.07449 174.3
[M+H-H2O]+ 292.10859 159.3
[M+HCOO]- 354.10953 191.6
[M+CH3COO]- 368.12518 208.9
[M+Na-2H]- 330.08600 176.9
[M]+ 309.11078 172.9
[M]- 309.11188 172.9
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.