CID 155822067

2490398-56-4

Structural Information

Molecular Formula
C15H13FN4O2S2
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C2=CSC(=N2)NC3=CN=C(C=C3)F
InChI
InChI=1S/C15H13FN4O2S2/c1-24(21,22)20-11-4-2-10(3-5-11)13-9-23-15(19-13)18-12-6-7-14(16)17-8-12/h2-9,20H,1H3,(H,18,19)
InChIKey
KKFDDJNHSAICOK-UHFFFAOYSA-N
Compound name
N-[4-[2-[(6-fluoropyridin-3-yl)amino]-1,3-thiazol-4-yl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

364.0464 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 365.05368 178.3
[M+Na]+ 387.03562 188.3
[M-H]- 363.03912 184.9
[M+NH4]+ 382.08022 190.2
[M+K]+ 403.00956 180.7
[M+H-H2O]+ 347.04366 169.4
[M+HCOO]- 409.04460 191.8
[M+CH3COO]- 423.06025 188.6
[M+Na-2H]- 385.02107 181.1
[M]+ 364.04585 180.0
[M]- 364.04695 180.0
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

No patent data available for this compound.