CID 3072347

141985-44-6

Structural Information

Molecular Formula
C17H15N5O7
SMILES
CN1C2=C(C(=O)C(=C(N2)NC3=CC=CC=C3C(=O)OC)[N+](=O)[O-])C(=O)N(C1=O)C
InChI
InChI=1S/C17H15N5O7/c1-20-14-10(15(24)21(2)17(20)26)12(23)11(22(27)28)13(19-14)18-9-7-5-4-6-8(9)16(25)29-3/h4-7H,1-3H3,(H2,18,19,23)
InChIKey
NYNADVRYMPZSLO-UHFFFAOYSA-N
Compound name
methyl 2-[(1,3-dimethyl-6-nitro-2,4,5-trioxo-8H-pyrido[2,3-d]pyrimidin-7-yl)amino]benzoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.09714 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.10442 187.2
[M+Na]+ 424.08636 201.3
[M+NH4]+ 419.13096 189.7
[M+K]+ 440.06030 200.3
[M-H]- 400.08986 189.0
[M+Na-2H]- 422.07181 191.1
[M]+ 401.09659 189.2
[M]- 401.09769 189.2
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.