CID 507868

Schembl4061448

Structural Information

Molecular Formula
C23H21FN4O4
SMILES
CNC(=O)C1=C2C(=C(C=C1)F)C(=CN2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H21FN4O4/c1-25-21(30)15-7-8-17(24)18-16(13-26-19(15)18)20(29)23(32)28-11-9-27(10-12-28)22(31)14-5-3-2-4-6-14/h2-8,13,26H,9-12H2,1H3,(H,25,30)
InChIKey
CYNYZJZATHHBED-UHFFFAOYSA-N
Compound name
3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

18
Patents

436.1547 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 437.16198 200.8
[M+Na]+ 459.14392 205.4
[M-H]- 435.14742 204.9
[M+NH4]+ 454.18852 206.9
[M+K]+ 475.11786 199.8
[M+H-H2O]+ 419.15196 189.3
[M+HCOO]- 481.15290 212.9
[M+CH3COO]- 495.16855 228.7
[M+Na-2H]- 457.12937 197.8
[M]+ 436.15415 197.0
[M]- 436.15525 197.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe