CID 6481433

1h-indole-7-carboxamide, 3-[2-[4-[(methylamino)sulfonyl]-1-piperazinyl]-1,2-dioxoethyl]-4-fluoro-n-methyl-

Structural Information

Molecular Formula
C17H20FN5O5S
SMILES
CNC(=O)C1=C2C(=C(C=C1)F)C(=CN2)C(=O)C(=O)N3CCN(CC3)S(=O)(=O)NC
InChI
InChI=1S/C17H20FN5O5S/c1-19-16(25)10-3-4-12(18)13-11(9-21-14(10)13)15(24)17(26)22-5-7-23(8-6-22)29(27,28)20-2/h3-4,9,20-21H,5-8H2,1-2H3,(H,19,25)
InChIKey
PHUHPGICWKFTCY-UHFFFAOYSA-N
Compound name
4-fluoro-N-methyl-3-[2-[4-(methylsulfamoyl)piperazin-1-yl]-2-oxoacetyl]-1H-indole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

3
Patents

425.1169 Da
Monoisotopic Mass

-0.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 426.12418 193.4
[M+Na]+ 448.10612 199.1
[M-H]- 424.10962 194.7
[M+NH4]+ 443.15072 201.0
[M+K]+ 464.08006 194.8
[M+H-H2O]+ 408.11416 185.0
[M+HCOO]- 470.11510 202.2
[M+CH3COO]- 484.13075 225.5
[M+Na-2H]- 446.09157 193.3
[M]+ 425.11635 192.9
[M]- 425.11745 192.9
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

patents stripe