CID 15958835

1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(5-methyl-1,2,4-oxadiazol-3-yl)-1h-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C23H19FN6O4
SMILES
CC1=NC(=NO1)C2=NC=C(C3=C2NC=C3C(=O)C(=O)N4CCN(CC4)C(=O)C5=CC=CC=C5)F
InChI
InChI=1S/C23H19FN6O4/c1-13-27-21(28-34-13)19-18-17(16(24)12-26-19)15(11-25-18)20(31)23(33)30-9-7-29(8-10-30)22(32)14-5-3-2-4-6-14/h2-6,11-12,25H,7-10H2,1H3
InChIKey
KGIKHUURJIPLGU-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[4-fluoro-7-(5-methyl-1,2,4-oxadiazol-3-yl)-1H-pyrrolo[2,3-c]pyridin-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

462.14517 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 463.15245 205.8
[M+Na]+ 485.13439 213.0
[M-H]- 461.13789 211.4
[M+NH4]+ 480.17899 207.4
[M+K]+ 501.10833 207.3
[M+H-H2O]+ 445.14243 193.1
[M+HCOO]- 507.14337 214.6
[M+CH3COO]- 521.15902 212.1
[M+Na-2H]- 483.11984 200.9
[M]+ 462.14462 204.8
[M]- 462.14572 204.8
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.