CID 5915168

Nsc 377165

Structural Information

Molecular Formula
C15H18N2O5
SMILES
CCOC(=O)/C=C\1/CCCN2C1=NC=C(C2=O)C(=O)OCC
InChI
InChI=1S/C15H18N2O5/c1-3-21-12(18)8-10-6-5-7-17-13(10)16-9-11(14(17)19)15(20)22-4-2/h8-9H,3-7H2,1-2H3/b10-8-
InChIKey
BAESFPJDLRNSHO-NTMALXAHSA-N
Compound name
ethyl (9Z)-9-(2-ethoxy-2-oxoethylidene)-4-oxo-7,8-dihydro-6H-pyrido[1,2-a]pyrimidine-3-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

306.12158 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 307.12886 167.6
[M+Na]+ 329.11080 174.8
[M-H]- 305.11430 169.0
[M+NH4]+ 324.15540 180.8
[M+K]+ 345.08474 172.4
[M+H-H2O]+ 289.11884 159.3
[M+HCOO]- 351.11978 184.2
[M+CH3COO]- 365.13543 203.5
[M+Na-2H]- 327.09625 169.9
[M]+ 306.12103 170.7
[M]- 306.12213 170.7
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.