CID 507862

3-[(4-benzoylpiperazin-1-yl)(oxo)acetyl]-4-fluoro-n,n-dimethyl-1h-indole-7-carboxamide-

Structural Information

Molecular Formula
C24H23FN4O4
SMILES
CN(C)C(=O)C1=C2C(=C(C=C1)F)C(=CN2)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H23FN4O4/c1-27(2)23(32)16-8-9-18(25)19-17(14-26-20(16)19)21(30)24(33)29-12-10-28(11-13-29)22(31)15-6-4-3-5-7-15/h3-9,14,26H,10-13H2,1-2H3
InChIKey
YFFZKKJJCRJCML-UHFFFAOYSA-N
Compound name
3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-4-fluoro-N,N-dimethyl-1H-indole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

450.17032 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.17760 204.4
[M+Na]+ 473.15954 208.6
[M-H]- 449.16304 209.7
[M+NH4]+ 468.20414 210.4
[M+K]+ 489.13348 204.2
[M+H-H2O]+ 433.16758 192.7
[M+HCOO]- 495.16852 216.6
[M+CH3COO]- 509.18417 234.6
[M+Na-2H]- 471.14499 200.3
[M]+ 450.16977 202.1
[M]- 450.17087 202.1
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

No patent data available for this compound.