CID 3082653

113049-11-9

Structural Information

Molecular Formula
C18H24N4O3S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C(CN2CCN(CC2)C3=CC=NC=C3)O
InChI
InChI=1S/C18H24N4O3S/c1-26(24,25)20-16-4-2-15(3-5-16)18(23)14-21-10-12-22(13-11-21)17-6-8-19-9-7-17/h2-9,18,20,23H,10-14H2,1H3
InChIKey
MXVFGNOLZDAKQJ-UHFFFAOYSA-N
Compound name
N-[4-[1-hydroxy-2-(4-pyridin-4-ylpiperazin-1-yl)ethyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

9
References

9
Patents

376.15692 Da
Monoisotopic Mass

0.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 377.16420 186.7
[M+Na]+ 399.14614 190.7
[M-H]- 375.14964 190.0
[M+NH4]+ 394.19074 193.1
[M+K]+ 415.12008 184.9
[M+H-H2O]+ 359.15418 176.4
[M+HCOO]- 421.15512 195.7
[M+CH3COO]- 435.17077 213.8
[M+Na-2H]- 397.13159 188.9
[M]+ 376.15637 183.9
[M]- 376.15747 183.9
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