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 186.7
[M+Na]+ 422.07568 194.3
[M-H]- 398.07918 189.3
[M+NH4]+ 417.12028 199.0
[M+K]+ 438.04962 189.0
[M+H-H2O]+ 382.08372 177.1
[M+HCOO]- 444.08466 198.7
[M+CH3COO]- 458.10031 221.0
[M+Na-2H]- 420.06113 189.5
[M]+ 399.08591 185.0
[M]- 399.08701 185.0
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

patents stripe