CID 49774236

4-fluoro-n-methylsulfonyl-8-(2-oxo-1h-pyridin-3-yl)-6-[[2-(trifluoromethyl)-1h-benzimidazol-5-yl]methyl]furo[2,3-e]indole-7-carboxamide

Structural Information

Molecular Formula
C26H17F4N5O5S
SMILES
CS(=O)(=O)NC(=O)C1=C(C2=C3C(=C(C=C2N1CC4=CC5=C(C=C4)N=C(N5)C(F)(F)F)F)C=CO3)C6=CC=CNC6=O
InChI
InChI=1S/C26H17F4N5O5S/c1-41(38,39)34-24(37)21-19(14-3-2-7-31-23(14)36)20-18(10-15(27)13-6-8-40-22(13)20)35(21)11-12-4-5-16-17(9-12)33-25(32-16)26(28,29)30/h2-10H,11H2,1H3,(H,31,36)(H,32,33)(H,34,37)
InChIKey
PNPYTOJHUXVKHQ-UHFFFAOYSA-N
Compound name
4-fluoro-N-methylsulfonyl-8-(2-oxo-1H-pyridin-3-yl)-6-[[2-(trifluoromethyl)-3H-benzimidazol-5-yl]methyl]furo[2,3-e]indole-7-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

587.0886 Da
Monoisotopic Mass

3.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 588.09588 232.3
[M+Na]+ 610.07782 246.1
[M-H]- 586.08132 238.1
[M+NH4]+ 605.12242 237.1
[M+K]+ 626.05176 239.7
[M+H-H2O]+ 570.08586 224.5
[M+HCOO]- 632.08680 240.2
[M+CH3COO]- 646.10245 239.5
[M+Na-2H]- 608.06327 232.3
[M]+ 587.08805 239.5
[M]- 587.08915 239.5
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