CID 3087895

116743-81-8

Structural Information

Molecular Formula
C17H13FN4O6
SMILES
CCOC(=O)C1=C(OC2=C(C13C4=C(C=CC(=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)7-5-6(18)3-4-8(7)20-15(17)25/h3-5H,2,19H2,1H3,(H,20,25)(H2,21,22,23,26)
InChIKey
DLYZEKORVBAEPB-UHFFFAOYSA-N
Compound name
ethyl 7'-amino-5-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 186.5
[M+Na]+ 411.07112 198.0
[M-H]- 387.07462 186.9
[M+NH4]+ 406.11572 196.6
[M+K]+ 427.04506 192.5
[M+H-H2O]+ 371.07916 177.9
[M+HCOO]- 433.08010 197.5
[M+CH3COO]- 447.09575 195.1
[M+Na-2H]- 409.05657 188.7
[M]+ 388.08135 185.6
[M]- 388.08245 185.6
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.