CID 166483

76199-85-4

Structural Information

Molecular Formula
C16H11N5O4
SMILES
CNC(=O)C(=C1C2=CC=CC=C2C(=N1)C3=C(NC(=O)NC3=O)O)C#N
InChI
InChI=1S/C16H11N5O4/c1-18-13(22)9(6-17)11-7-4-2-3-5-8(7)12(19-11)10-14(23)20-16(25)21-15(10)24/h2-5H,1H3,(H,18,22)(H3,20,21,23,24,25)
InChIKey
SNZMGUPMUOWIDP-UHFFFAOYSA-N
Compound name
2-cyano-2-[3-(6-hydroxy-2,4-dioxo-1H-pyrimidin-5-yl)isoindol-1-ylidene]-N-methylacetamide
Related CIDs

2D Structure

compound 2d structure
2
Annotation Hits

0
References

20
Patents

337.08112 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 338.08840 179.0
[M+Na]+ 360.07034 189.2
[M+NH4]+ 355.11494 179.0
[M+K]+ 376.04428 184.0
[M-H]- 336.07384 171.0
[M+Na-2H]- 358.05579 179.1
[M]+ 337.08057 176.8
[M]- 337.08167 176.8
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