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 172.3
[M+Na]+ 358.07580 183.1
[M-H]- 334.07930 175.5
[M+NH4]+ 353.12040 182.2
[M+K]+ 374.04974 174.1
[M+H-H2O]+ 318.08384 168.1
[M+HCOO]- 380.08478 189.7
[M+CH3COO]- 394.10043 202.7
[M+Na-2H]- 356.06125 176.2
[M]+ 335.08603 172.0
[M]- 335.08713 172.0
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.