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-fluoropyridin-3-yl)-2,3-dihydro-1H-inden-2-yl]propane-2-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

4
References

352
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

literature stripe

Patent stripe

patents stripe