CID 15958424

Chembl209151

Structural Information

Molecular Formula
C29H32N2O5S
SMILES
CC1=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/C29H32N2O5S/c1-20-7-5-12-26(15-20)37(33,34)30-23-8-6-9-24(18-23)31-19-22(17-29(31)32)21-13-14-27(35-2)28(16-21)36-25-10-3-4-11-25/h5-9,12-16,18,22,25,30H,3-4,10-11,17,19H2,1-2H3/t22-/m0/s1
InChIKey
VICBYPCVDNZJLF-QFIPXVFZSA-N
Compound name
N-[3-[(4R)-4-(3-cyclopentyloxy-4-methoxyphenyl)-2-oxopyrrolidin-1-yl]phenyl]-3-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

520.2032 Da
Monoisotopic Mass

4.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 521.21048 224.9
[M+Na]+ 543.19242 229.3
[M-H]- 519.19592 239.4
[M+NH4]+ 538.23702 232.5
[M+K]+ 559.16636 224.2
[M+H-H2O]+ 503.20046 215.7
[M+HCOO]- 565.20140 238.9
[M+CH3COO]- 579.21705 242.7
[M+Na-2H]- 541.17787 219.6
[M]+ 520.20265 226.6
[M]- 520.20375 226.6
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.