CID 506478

3-[2-(4-benzoylpiperazin-1-yl)-2-oxo-acetyl]-n-ethyl-4-fluoro-indole-1-carboxamide

Structural Information

Molecular Formula
C24H23FN4O4
SMILES
CCNC(=O)N1C=C(C2=C1C=CC=C2F)C(=O)C(=O)N3CCN(CC3)C(=O)C4=CC=CC=C4
InChI
InChI=1S/C24H23FN4O4/c1-2-26-24(33)29-15-17(20-18(25)9-6-10-19(20)29)21(30)23(32)28-13-11-27(12-14-28)22(31)16-7-4-3-5-8-16/h3-10,15H,2,11-14H2,1H3,(H,26,33)
InChIKey
TVZHRAMMQCWEFI-UHFFFAOYSA-N
Compound name
3-[2-(4-benzoylpiperazin-1-yl)-2-oxoacetyl]-N-ethyl-4-fluoroindole-1-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

450.17032 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.17760 205.7
[M+Na]+ 473.15954 210.3
[M-H]- 449.16304 211.0
[M+NH4]+ 468.20414 211.9
[M+K]+ 489.13348 205.2
[M+H-H2O]+ 433.16758 193.7
[M+HCOO]- 495.16852 218.9
[M+CH3COO]- 509.18417 233.0
[M+Na-2H]- 471.14499 202.5
[M]+ 450.16977 203.9
[M]- 450.17087 203.9
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.