CID 3070130

Brn 4585865

Structural Information

Molecular Formula
C20H27N3O3S
SMILES
CS(=O)(=O)NC1=CC(=CC=C1)OCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C20H27N3O3S/c1-27(24,25)21-18-7-5-10-20(17-18)26-16-6-11-22-12-14-23(15-13-22)19-8-3-2-4-9-19/h2-5,7-10,17,21H,6,11-16H2,1H3
InChIKey
UMEJXOPXPOQORH-UHFFFAOYSA-N
Compound name
N-[3-[3-(4-phenylpiperazin-1-yl)propoxy]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

389.1773 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 390.18458 190.7
[M+Na]+ 412.16652 202.3
[M+NH4]+ 407.21112 196.9
[M+K]+ 428.14046 193.4
[M-H]- 388.17002 195.0
[M+Na-2H]- 410.15197 198.7
[M]+ 389.17675 193.9
[M]- 389.17785 193.9
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.