CID 11430856

Naluzotan

Structural Information

Molecular Formula
C23H38N4O3S
SMILES
CC(=O)NC1=CC(=CC=C1)N2CCN(CC2)CCCCNS(=O)(=O)CC3CCCCC3
InChI
InChI=1S/C23H38N4O3S/c1-20(28)25-22-10-7-11-23(18-22)27-16-14-26(15-17-27)13-6-5-12-24-31(29,30)19-21-8-3-2-4-9-21/h7,10-11,18,21,24H,2-6,8-9,12-17,19H2,1H3,(H,25,28)
InChIKey
SPWZXWDPAWDKQE-UHFFFAOYSA-N
Compound name
N-[3-[4-[4-(cyclohexylmethylsulfonylamino)butyl]piperazin-1-yl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

8
References

268
Patents

450.26645 Da
Monoisotopic Mass

3.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 451.27373 206.7
[M+Na]+ 473.25567 205.2
[M-H]- 449.25917 210.3
[M+NH4]+ 468.30027 211.5
[M+K]+ 489.22961 199.8
[M+H-H2O]+ 433.26371 195.8
[M+HCOO]- 495.26465 213.8
[M+CH3COO]- 509.28030 233.0
[M+Na-2H]- 471.24112 205.3
[M]+ 450.26590 201.4
[M]- 450.26700 201.4
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.