CID 10337743

Way 208466 dihydrochloride

Structural Information

Molecular Formula
C17H18FN3O2S
SMILES
CN(C)CCN1C=C(C2=C1N=CC=C2)S(=O)(=O)C3=CC=CC(=C3)F
InChI
InChI=1S/C17H18FN3O2S/c1-20(2)9-10-21-12-16(15-7-4-8-19-17(15)21)24(22,23)14-6-3-5-13(18)11-14/h3-8,11-12H,9-10H2,1-2H3
InChIKey
SFSFIDVAEMDPIP-UHFFFAOYSA-N
Compound name
2-[3-(3-fluorophenyl)sulfonylpyrrolo[2,3-b]pyridin-1-yl]-N,N-dimethylethanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

19
References

22
Patents

347.11038 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 348.11766 178.4
[M+Na]+ 370.09960 191.2
[M+NH4]+ 365.14420 185.1
[M+K]+ 386.07354 184.4
[M-H]- 346.10310 180.3
[M+Na-2H]- 368.08505 185.4
[M]+ 347.10983 181.2
[M]- 347.11093 181.2
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

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