CID 3087876

116719-49-4

Structural Information

Molecular Formula
C15H8FN5O4
SMILES
C1=CC2=C(C=C1F)C3(C(=C(OC4=C3C(=O)NC(=O)N4)N)C#N)C(=O)N2
InChI
InChI=1S/C15H8FN5O4/c16-5-1-2-8-6(3-5)15(13(23)19-8)7(4-17)10(18)25-12-9(15)11(22)20-14(24)21-12/h1-3H,18H2,(H,19,23)(H2,20,21,22,24)
InChIKey
SZIIJJAXRXRNSY-UHFFFAOYSA-N
Compound name
7'-amino-5-fluoro-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carbonitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

341.05603 Da
Monoisotopic Mass

-0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 342.06331 178.8
[M+Na]+ 364.04525 193.3
[M-H]- 340.04875 177.5
[M+NH4]+ 359.08985 189.2
[M+K]+ 380.01919 183.7
[M+H-H2O]+ 324.05329 163.6
[M+HCOO]- 386.05423 187.9
[M+CH3COO]- 400.06988 186.5
[M+Na-2H]- 362.03070 181.4
[M]+ 341.05548 170.3
[M]- 341.05658 170.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.