CID 507964

Schembl6442530

Structural Information

Molecular Formula
C22H17FN6O4
SMILES
C1CN(CCN1C(=O)C2=CC=CC=N2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)C5=NOC=N5
InChI
InChI=1S/C22H17FN6O4/c23-15-5-4-13(20-26-12-33-27-20)18-17(15)14(11-25-18)19(30)22(32)29-9-7-28(8-10-29)21(31)16-3-1-2-6-24-16/h1-6,11-12,25H,7-10H2
InChIKey
HHWXVRPJHYZQPG-UHFFFAOYSA-N
Compound name
1-[4-fluoro-7-(1,2,4-oxadiazol-3-yl)-1H-indol-3-yl]-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

8
Patents

448.12952 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 449.13680 200.2
[M+Na]+ 471.11874 207.0
[M-H]- 447.12224 205.5
[M+NH4]+ 466.16334 202.1
[M+K]+ 487.09268 201.5
[M+H-H2O]+ 431.12678 187.4
[M+HCOO]- 493.12772 209.3
[M+CH3COO]- 507.14337 206.6
[M+Na-2H]- 469.10419 196.6
[M]+ 448.12897 198.4
[M]- 448.13007 198.4
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.