CID 507998

Schembl6441221

Structural Information

Molecular Formula
C24H20FN5O3
SMILES
C1CN(CCN1C(=O)C2=CC=CC=C2)C(=O)C(=O)C3=CNC4=C(C=CC(=C34)F)N5C=CC=N5
InChI
InChI=1S/C24H20FN5O3/c25-18-7-8-19(30-10-4-9-27-30)21-20(18)17(15-26-21)22(31)24(33)29-13-11-28(12-14-29)23(32)16-5-2-1-3-6-16/h1-10,15,26H,11-14H2
InChIKey
UFYRXJHYWCWPTR-UHFFFAOYSA-N
Compound name
1-(4-benzoylpiperazin-1-yl)-2-(4-fluoro-7-pyrazol-1-yl-1H-indol-3-yl)ethane-1,2-dione
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

10
Patents

445.15503 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 446.16231 202.6
[M+Na]+ 468.14425 208.5
[M-H]- 444.14775 208.1
[M+NH4]+ 463.18885 207.3
[M+K]+ 484.11819 201.3
[M+H-H2O]+ 428.15229 189.7
[M+HCOO]- 490.15323 213.2
[M+CH3COO]- 504.16888 208.9
[M+Na-2H]- 466.12970 197.9
[M]+ 445.15448 199.0
[M]- 445.15558 199.0
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.