CID 135955930

N-[3-[(4ar,7as)-4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,7a-tetrahydro-4ah-cyclopenta[b]pyridin-3-yl]-1,1-dioxo-4h-1$l^{6},2,4-benzothiadiazin-7-yl]methanesulfonamide

Structural Information

Molecular Formula
C24H23F3N4O6S2
SMILES
CS(=O)(=O)NC1=CC2=C(C=C1)NC(=NS2(=O)=O)C3=C([C@@H]4CCC[C@@H]4N(C3=O)CC5=CC(=CC=C5)C(F)(F)F)O
InChI
InChI=1S/C24H23F3N4O6S2/c1-38(34,35)29-15-8-9-17-19(11-15)39(36,37)30-22(28-17)20-21(32)16-6-3-7-18(16)31(23(20)33)12-13-4-2-5-14(10-13)24(25,26)27/h2,4-5,8-11,16,18,29,32H,3,6-7,12H2,1H3,(H,28,30)/t16-,18+/m1/s1
InChIKey
IGHACRGAKWRGTC-AEFFLSMTSA-N
Compound name
N-[3-[(4aR,7aS)-4-hydroxy-2-oxo-1-[[3-(trifluoromethyl)phenyl]methyl]-5,6,7,7a-tetrahydro-4aH-cyclopenta[b]pyridin-3-yl]-1,1-dioxo-4H-1lambda6,2,4-benzothiadiazin-7-yl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

3
Patents

584.10114 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 585.10842 228.0
[M+Na]+ 607.09036 235.7
[M-H]- 583.09386 228.0
[M+NH4]+ 602.13496 231.8
[M+K]+ 623.06430 228.2
[M+H-H2O]+ 567.09840 219.2
[M+HCOO]- 629.09934 224.9
[M+CH3COO]- 643.11499 248.0
[M+Na-2H]- 605.07581 231.0
[M]+ 584.10059 227.0
[M]- 584.10169 227.0
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