CID 389984

Nsc-686778

Structural Information

Molecular Formula
C16H11FN4O2S2
SMILES
C1=CC=C2C(=C1)C=CC3=NN=C(N32)NS(=O)(=O)C4=C(C=C(C=C4)F)S
InChI
InChI=1S/C16H11FN4O2S2/c17-11-6-7-14(13(24)9-11)25(22,23)20-16-19-18-15-8-5-10-3-1-2-4-12(10)21(15)16/h1-9,24H,(H,19,20)
InChIKey
BJUBOMKXABYKLG-UHFFFAOYSA-N
Compound name
4-fluoro-2-sulfanyl-N-([1,2,4]triazolo[4,3-a]quinolin-1-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

374.03073 Da
Monoisotopic Mass

3.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 375.03801 181.1
[M+Na]+ 397.01995 194.8
[M-H]- 373.02345 185.7
[M+NH4]+ 392.06455 194.2
[M+K]+ 412.99389 186.9
[M+H-H2O]+ 357.02799 173.5
[M+HCOO]- 419.02893 191.9
[M+CH3COO]- 433.04458 191.9
[M+Na-2H]- 395.00540 186.9
[M]+ 374.03018 186.8
[M]- 374.03128 186.8
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.