CID 42623951

Czc24832

Structural Information

Molecular Formula
C15H17FN6O2S
SMILES
CC(C)(C)NS(=O)(=O)C1=CN=CC(=C1)C2=CN3C(=NC(=N3)N)C(=C2)F
InChI
InChI=1S/C15H17FN6O2S/c1-15(2,3)21-25(23,24)11-4-9(6-18-7-11)10-5-12(16)13-19-14(17)20-22(13)8-10/h4-8,21H,1-3H3,(H2,17,20)
InChIKey
RXRZPHQBTHQXSV-UHFFFAOYSA-N
Compound name
5-(2-amino-8-fluoro-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-N-tert-butylpyridine-3-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

8
References

852
Patents

364.1118 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.11908 185.9
[M+Na]+ 387.10102 197.6
[M-H]- 363.10452 188.6
[M+NH4]+ 382.14562 196.3
[M+K]+ 403.07496 191.2
[M+H-H2O]+ 347.10906 176.9
[M+HCOO]- 409.11000 199.5
[M+CH3COO]- 423.12565 216.6
[M+Na-2H]- 385.08647 191.1
[M]+ 364.11125 189.1
[M]- 364.11235 189.1
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

patents stripe