CID 46398805

Uos 12258

Structural Information

Molecular Formula
C17H19FN2O2S
SMILES
CC(C)S(=O)(=O)N[C@H]1CC2=C(C1)C=C(C=C2)C3=CN=C(C=C3)F
InChI
InChI=1S/C17H19FN2O2S/c1-11(2)23(21,22)20-16-8-13-4-3-12(7-15(13)9-16)14-5-6-17(18)19-10-14/h3-7,10-11,16,20H,8-9H2,1-2H3/t16-/m0/s1
InChIKey
QXQSUBKWSHMXDP-INIZCTEOSA-N
Compound name
N-[(2S)-5-(6-fluoro-3-pyridinyl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

266
Patents

334.1151 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 335.12238 175.9
[M+Na]+ 357.10432 184.1
[M-H]- 333.10782 181.2
[M+NH4]+ 352.14892 191.5
[M+K]+ 373.07826 178.9
[M+H-H2O]+ 317.11236 168.0
[M+HCOO]- 379.11330 190.3
[M+CH3COO]- 393.12895 210.0
[M+Na-2H]- 355.08977 177.1
[M]+ 334.11455 177.1
[M]- 334.11565 177.1
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.