CID 132824

148201-53-0

Structural Information

Molecular Formula
C20H16FN3O4
SMILES
C1CC(N(C1)C2=C(C=C3C4=C2OC5=CC=CC=C5N4C=C(C3=O)C(=O)O)F)N
InChI
InChI=1S/C20H16FN3O4/c21-12-8-10-16-19(17(12)23-7-3-6-15(23)22)28-14-5-2-1-4-13(14)24(16)9-11(18(10)25)20(26)27/h1-2,4-5,8-9,15H,3,6-7,22H2,(H,26,27)
InChIKey
ZVHIEKIZOZRHFT-UHFFFAOYSA-N
Compound name
10-(2-aminopyrrolidin-1-yl)-11-fluoro-14-oxo-8-oxa-1-azatetracyclo[7.7.1.02,7.013,17]heptadeca-2,4,6,9(17),10,12,15-heptaene-15-carboxylic acid
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

381.1125 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 382.11978 188.2
[M+Na]+ 404.10172 200.9
[M+NH4]+ 399.14632 194.5
[M+K]+ 420.07566 197.0
[M-H]- 380.10522 191.1
[M+Na-2H]- 402.08717 189.5
[M]+ 381.11195 190.6
[M]- 381.11305 190.6
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.