CID 3087877

116719-50-7

Structural Information

Molecular Formula
C17H13FN4O6
SMILES
CCOC(=O)C1=C(OC2=C(C13C4=C(C=C(C=C4)F)NC3=O)C(=O)NC(=O)N2)N
InChI
InChI=1S/C17H13FN4O6/c1-2-27-14(24)9-11(19)28-13-10(12(23)21-16(26)22-13)17(9)7-4-3-6(18)5-8(7)20-15(17)25/h3-5H,2,19H2,1H3,(H,20,25)(H2,21,22,23,26)
InChIKey
AVLBADXCIVOEMO-UHFFFAOYSA-N
Compound name
ethyl 7'-amino-6-fluoro-2,2',4'-trioxospiro[1H-indole-3,5'-1H-pyrano[2,3-d]pyrimidine]-6'-carboxylate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

388.0819 Da
Monoisotopic Mass

-0.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 389.08918 187.1
[M+Na]+ 411.07112 197.3
[M+NH4]+ 406.11572 190.9
[M+K]+ 427.04506 194.6
[M-H]- 387.07462 185.8
[M+Na-2H]- 409.05657 187.4
[M]+ 388.08135 187.7
[M]- 388.08245 187.7
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.