CID 3072348

Pyrido(2,3-d)pyrimidine-2,4,5(1h,3h,8h)-trione, 1,3-dimethyl-6-nitro-7-(2-oxo-1-pyrrolidinyl)-

Structural Information

Molecular Formula
C13H13N5O6
SMILES
CN1C2=C(C(=O)C(=C(N2)N3CCCC3=O)[N+](=O)[O-])C(=O)N(C1=O)C
InChI
InChI=1S/C13H13N5O6/c1-15-10-7(12(21)16(2)13(15)22)9(20)8(18(23)24)11(14-10)17-5-3-4-6(17)19/h3-5H2,1-2H3,(H,14,20)
InChIKey
WJHCGNQDQVPEKA-UHFFFAOYSA-N
Compound name
1,3-dimethyl-6-nitro-7-(2-oxopyrrolidin-1-yl)-8H-pyrido[2,3-d]pyrimidine-2,4,5-trione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

335.08658 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 336.09386 172.0
[M+Na]+ 358.07580 185.0
[M+NH4]+ 353.12040 175.2
[M+K]+ 374.04974 186.2
[M-H]- 334.07930 172.2
[M+Na-2H]- 356.06125 173.9
[M]+ 335.08603 173.3
[M]- 335.08713 173.3
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.