CID 15958408

Chembl210542

Structural Information

Molecular Formula
C29H32N2O6S
SMILES
COC1=CC(=CC=C1)S(=O)(=O)NC2=CC(=CC=C2)N3C[C@H](CC3=O)C4=CC(=C(C=C4)OC)OC5CCCC5
InChI
InChI=1S/C29H32N2O6S/c1-35-25-11-6-12-26(18-25)38(33,34)30-22-7-5-8-23(17-22)31-19-21(16-29(31)32)20-13-14-27(36-2)28(15-20)37-24-9-3-4-10-24/h5-8,11-15,17-18,21,24,30H,3-4,9-10,16,19H2,1-2H3/t21-/m0/s1
InChIKey
BJZGRNPTRCMLEI-NRFANRHFSA-N
Compound name
N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-methoxybenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

4
Patents

536.1981 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 537.20538 227.0
[M+Na]+ 559.18732 230.9
[M-H]- 535.19082 241.4
[M+NH4]+ 554.23192 233.7
[M+K]+ 575.16126 226.7
[M+H-H2O]+ 519.19536 217.7
[M+HCOO]- 581.19630 241.1
[M+CH3COO]- 595.21195 244.9
[M+Na-2H]- 557.17277 222.2
[M]+ 536.19755 230.0
[M]- 536.19865 230.0
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

No patent data available for this compound.