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

276
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

literature stripe

Patent stripe

patents stripe