CID 389979

Nsc686773

Structural Information

Molecular Formula
C15H10FN5O2S2
SMILES
C1=CC=C2C(=C1)C=NN3C2=NN=C3NS(=O)(=O)C4=C(C=C(C=C4)F)S
InChI
InChI=1S/C15H10FN5O2S2/c16-10-5-6-13(12(24)7-10)25(22,23)20-15-19-18-14-11-4-2-1-3-9(11)8-17-21(14)15/h1-8,24H,(H,19,20)
InChIKey
RWXXUKMALYWODX-UHFFFAOYSA-N
Compound name
4-fluoro-2-sulfanyl-N-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

375.026 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.03328 181.0
[M+Na]+ 398.01522 195.2
[M-H]- 374.01872 184.5
[M+NH4]+ 393.05982 192.7
[M+K]+ 413.98916 187.1
[M+H-H2O]+ 358.02326 173.1
[M+HCOO]- 420.02420 190.8
[M+CH3COO]- 434.03985 191.4
[M+Na-2H]- 396.00067 187.1
[M]+ 375.02545 186.6
[M]- 375.02655 186.6
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.