CID 15958422

Benzenesulfonamide, n-[3-[(4r)-4-[3-(cyclopentyloxy)-4-methoxyphenyl]-2-oxo-1-pyrrolidinyl]phenyl]-3-trifluoromethyl-

Structural Information

Molecular Formula
C29H29F3N2O5S
SMILES
COC1=C(C=C(C=C1)[C@H]2CC(=O)N(C2)C3=CC=CC(=C3)NS(=O)(=O)C4=CC=CC(=C4)C(F)(F)F)OC5CCCC5
InChI
InChI=1S/C29H29F3N2O5S/c1-38-26-13-12-19(14-27(26)39-24-9-2-3-10-24)20-15-28(35)34(18-20)23-8-5-7-22(17-23)33-40(36,37)25-11-4-6-21(16-25)29(30,31)32/h4-8,11-14,16-17,20,24,33H,2-3,9-10,15,18H2,1H3/t20-/m0/s1
InChIKey
KRUTVDCCFKAFFO-FQEVSTJZSA-N
Compound name
N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-(trifluoromethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

574.1749 Da
Monoisotopic Mass

5.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 575.18218 233.1
[M+Na]+ 597.16412 237.8
[M-H]- 573.16762 243.7
[M+NH4]+ 592.20872 238.5
[M+K]+ 613.13806 232.2
[M+H-H2O]+ 557.17216 221.8
[M+HCOO]- 619.17310 242.4
[M+CH3COO]- 633.18875 250.0
[M+Na-2H]- 595.14957 228.0
[M]+ 574.17435 231.5
[M]- 574.17545 231.5
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

No patent data available for this compound.