CID 135434852

1-(4-benzoylpiperazin-1-yl)-2-[4,7-difluoro-1-[(5-oxo-2h-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]ethane-1,2-dione

Structural Information

Molecular Formula
C24H19F2N5O5
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CN(C4=C(C=CC(=C34)F)F)CC5=NOC(=O)N5
InChI
InChI=1S/C24H19F2N5O5/c25-16-6-7-17(26)20-19(16)15(12-31(20)13-18-27-24(35)36-28-18)21(32)23(34)30-10-8-29(9-11-30)22(33)14-4-2-1-3-5-14/h1-7,12H,8-11,13H2,(H,27,28,35)
InChIKey
RWDPQWUFPJSFLN-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-[4,7-difluoro-1-[(5-oxo-4H-1,2,4-oxadiazol-3-yl)methyl]indol-3-yl]ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

495.13544 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 496.14272 211.8
[M+Na]+ 518.12466 219.4
[M-H]- 494.12816 217.4
[M+NH4]+ 513.16926 213.4
[M+K]+ 534.09860 213.6
[M+H-H2O]+ 478.13270 198.9
[M+HCOO]- 540.13364 220.8
[M+CH3COO]- 554.14929 217.9
[M+Na-2H]- 516.11011 205.5
[M]+ 495.13489 210.8
[M]- 495.13599 210.8
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.