CID 160357

36888-99-0

Structural Information

Molecular Formula
C16H9N5O6
SMILES
C1=CC=C2C(=C1)C(=C3C(=O)NC(=O)NC3=O)N=C2C4=C(NC(=O)NC4=O)O
InChI
InChI=1S/C16H9N5O6/c22-11-7(12(23)19-15(26)18-11)9-5-3-1-2-4-6(5)10(17-9)8-13(24)20-16(27)21-14(8)25/h1-4H,(H2,18,19,22,23,26)(H3,20,21,24,25,27)
InChIKey
VXQNQGCWKZPKET-UHFFFAOYSA-N
Compound name
5-[3-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)isoindol-1-ylidene]-1,3-diazinane-2,4,6-trione
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

111
Patents

367.0553 Da
Monoisotopic Mass

-0.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 368.06258 185.0
[M+Na]+ 390.04452 196.8
[M+NH4]+ 385.08912 186.2
[M+K]+ 406.01846 196.0
[M-H]- 366.04802 183.3
[M+Na-2H]- 388.02997 186.4
[M]+ 367.05475 185.4
[M]- 367.05585 185.4
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

patents stripe