CID 121404901

Chembl5415591

Structural Information

Molecular Formula
C23H16ClF2N9O
SMILES
C1CC2=CC(=CC(=O)N2[C@H]1C3=C(N=C(N3)C4=C(N=C(C=C4)N)F)F)C5=C(C=CC(=C5)Cl)N6C=NN=N6
InChI
InChI=1S/C23H16ClF2N9O/c24-12-1-4-16(34-10-28-32-33-34)15(9-12)11-7-13-2-5-17(35(13)19(36)8-11)20-22(26)31-23(30-20)14-3-6-18(27)29-21(14)25/h1,3-4,6-10,17H,2,5H2,(H2,27,29)(H,30,31)/t17-/m1/s1
InChIKey
YVACZLFZCFGMPP-QGZVFWFLSA-N
Compound name
(3R)-3-[2-(6-amino-2-fluoropyridin-3-yl)-4-fluoro-1H-imidazol-5-yl]-7-[5-chloro-2-(tetrazol-1-yl)phenyl]-2,3-dihydro-1H-indolizin-5-one
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

24
Patents

507.11343 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 508.12071 210.6
[M+Na]+ 530.10265 225.7
[M+NH4]+ 525.14725 213.6
[M+K]+ 546.07659 224.9
[M-H]- 506.10615 213.5
[M+Na-2H]- 528.08810 218.1
[M]+ 507.11288 213.5
[M]- 507.11398 213.5
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