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)-3-pyridinyl]-2,3-dihydro-1H-indene-5-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

36
Patents

399.08646 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 400.093736 186.7
[M+Na]+ 422.075678 194.3
[M-H]- 398.079184 189.3
[M+NH4]+ 417.120283 199.0
[M+K]+ 438.049618 189.0
[M+H-H2O]+ 382.083720 177.1
[M+HCOO]- 444.084661 198.7
[M+CH3COO]- 458.100311 221.0
[M+Na-2H]- 420.061126 189.5
[M]+ 399.08591142 185.0
[M]- 399.08700858 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