CID 3072241

1h-indene-5-carboxamide, 2,3-dihydro-n-(2-((methylsulfonyl)amino)-5-(trifluoromethyl)-3-pyridinyl)-

Structural Information

Molecular Formula
C17H16F3N3O3S
SMILES
CS(=O)(=O)NC1=C(C=C(C=N1)C(F)(F)F)NC(=O)C2=CC3=C(CCC3)C=C2
InChI
InChI=1S/C17H16F3N3O3S/c1-27(25,26)23-15-14(8-13(9-21-15)17(18,19)20)22-16(24)12-6-5-10-3-2-4-11(10)7-12/h5-9H,2-4H2,1H3,(H,21,23)(H,22,24)
InChIKey
GNSRPLZFSMVDMI-UHFFFAOYSA-N
Compound name
N-[2-(methanesulfonamido)-5-(trifluoromethyl)pyridin-3-yl]-2,3-dihydro-1H-indene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

24
Patents

399.08646 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.09374 185.0
[M+Na]+ 422.07568 190.8
[M+NH4]+ 417.12028 188.3
[M+K]+ 438.04962 187.3
[M-H]- 398.07918 182.3
[M+Na-2H]- 420.06113 187.8
[M]+ 399.08591 184.9
[M]- 399.08701 184.9
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

patents stripe