CID 6481430

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

Structural Information

Molecular Formula
C18H22FN5O5S
SMILES
CNC(=O)C1=C2C(=C(C=C1)F)C(=CN2)C(=O)C(=O)N3CCN(CC3)S(=O)(=O)N(C)C
InChI
InChI=1S/C18H22FN5O5S/c1-20-17(26)11-4-5-13(19)14-12(10-21-15(11)14)16(25)18(27)23-6-8-24(9-7-23)30(28,29)22(2)3/h4-5,10,21H,6-9H2,1-3H3,(H,20,26)
InChIKey
VNKFVLCOLYSQGB-UHFFFAOYSA-N
Compound name
3-[2-[4-(dimethylsulfamoyl)piperazin-1-yl]-2-oxoacetyl]-4-fluoro-N-methyl-1H-indole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

439.13257 Da
Monoisotopic Mass

-0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 440.13985 197.1
[M+Na]+ 462.12179 202.4
[M-H]- 438.12529 199.7
[M+NH4]+ 457.16639 204.7
[M+K]+ 478.09573 199.3
[M+H-H2O]+ 422.12983 188.5
[M+HCOO]- 484.13077 206.1
[M+CH3COO]- 498.14642 231.3
[M+Na-2H]- 460.10724 196.0
[M]+ 439.13202 198.2
[M]- 439.13312 198.2
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.