CID 117562

25621-88-9

Structural Information

Molecular Formula
C15H9N5O4
SMILES
C1=CC=C2C(=C1)C(=NC2=C(C#N)C(=O)N)C3=C(NC(=O)NC3=O)O
InChI
InChI=1S/C15H9N5O4/c16-5-8(12(17)21)10-6-3-1-2-4-7(6)11(18-10)9-13(22)19-15(24)20-14(9)23/h1-4H,(H2,17,21)(H3,19,20,22,23,24)
InChIKey
ZHMCDDCDBPPXHD-UHFFFAOYSA-N
Compound name
2-cyano-2-[3-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)isoindol-1-ylidene]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

323.06546 Da
Monoisotopic Mass

-0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 324.07274 179.6
[M+Na]+ 346.05468 190.1
[M-H]- 322.05818 178.5
[M+NH4]+ 341.09928 187.9
[M+K]+ 362.02862 182.6
[M+H-H2O]+ 306.06272 164.4
[M+HCOO]- 368.06366 191.6
[M+CH3COO]- 382.07931 212.9
[M+Na-2H]- 344.04013 178.7
[M]+ 323.06491 170.9
[M]- 323.06601 170.9
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.