CID 3049113

64511-30-4

Structural Information

Molecular Formula
C21H29N3O5S
SMILES
COC1=CC=CC=C1N2CCN(CC2)CC(COC3=CC=C(C=C3)NS(=O)(=O)C)O
InChI
InChI=1S/C21H29N3O5S/c1-28-21-6-4-3-5-20(21)24-13-11-23(12-14-24)15-18(25)16-29-19-9-7-17(8-10-19)22-30(2,26)27/h3-10,18,22,25H,11-16H2,1-2H3
InChIKey
XSJPLANTUUBMFW-UHFFFAOYSA-N
Compound name
N-[4-[2-hydroxy-3-[4-(2-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

435.1828 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 436.19008 200.7
[M+Na]+ 458.17202 203.4
[M-H]- 434.17552 205.0
[M+NH4]+ 453.21662 206.0
[M+K]+ 474.14596 199.0
[M+H-H2O]+ 418.18006 190.3
[M+HCOO]- 480.18100 210.4
[M+CH3COO]- 494.19665 225.5
[M+Na-2H]- 456.15747 201.4
[M]+ 435.18225 201.6
[M]- 435.18335 201.6
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.