CID 89588522

Phenylsulfonyl derivative 2

Structural Information

Molecular Formula
C23H27N3O2S
SMILES
C1CCN(C1)CCCC(=O)NC2=CC3=C(C=C2)SCCN3C(=O)C4=CC=CC=C4
InChI
InChI=1S/C23H27N3O2S/c27-22(9-6-14-25-12-4-5-13-25)24-19-10-11-21-20(17-19)26(15-16-29-21)23(28)18-7-2-1-3-8-18/h1-3,7-8,10-11,17H,4-6,9,12-16H2,(H,24,27)
InChIKey
NSMKNQYJLDRTTI-UHFFFAOYSA-N
Compound name
N-(4-benzoyl-2,3-dihydro-1,4-benzothiazin-6-yl)-4-pyrrolidin-1-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

1
Patents

409.1824 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 410.18968 196.0
[M+Na]+ 432.17162 206.2
[M+NH4]+ 427.21622 203.3
[M+K]+ 448.14556 198.6
[M-H]- 408.17512 201.0
[M+Na-2H]- 430.15707 202.0
[M]+ 409.18185 199.1
[M]- 409.18295 199.1
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