CID 389978

Nsc686772

Structural Information

Molecular Formula
C15H10ClN5O2S2
SMILES
C1=CC=C2C(=C1)C=NN3C2=NN=C3NS(=O)(=O)C4=C(C=C(C=C4)Cl)S
InChI
InChI=1S/C15H10ClN5O2S2/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
AAVLSVZUEVDXAO-UHFFFAOYSA-N
Compound name
4-chloro-2-sulfanyl-N-([1,2,4]triazolo[3,4-a]phthalazin-3-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

390.99643 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 392.00371 184.4
[M+Na]+ 413.98565 198.9
[M-H]- 389.98915 189.4
[M+NH4]+ 409.03025 196.5
[M+K]+ 429.95959 190.8
[M+H-H2O]+ 373.99369 177.9
[M+HCOO]- 435.99463 190.7
[M+CH3COO]- 450.01028 195.0
[M+Na-2H]- 411.97110 190.6
[M]+ 390.99588 192.8
[M]- 390.99698 192.8
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.