CID 3070131

Brn 4582159

Structural Information

Molecular Formula
C20H27N3O3S
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)OCCCN2CCN(CC2)C3=CC=CC=C3
InChI
InChI=1S/C20H27N3O3S/c1-27(24,25)21-18-8-10-20(11-9-18)26-17-5-12-22-13-15-23(16-14-22)19-6-3-2-4-7-19/h2-4,6-11,21H,5,12-17H2,1H3
InChIKey
JDBKYYFWJRKHKS-UHFFFAOYSA-N
Compound name
N-[4-[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 191.7
[M+Na]+ 412.16652 195.6
[M-H]- 388.17002 197.2
[M+NH4]+ 407.21112 199.8
[M+K]+ 428.14046 189.9
[M+H-H2O]+ 372.17456 181.0
[M+HCOO]- 434.17550 203.9
[M+CH3COO]- 448.19115 218.3
[M+Na-2H]- 410.15197 194.1
[M]+ 389.17675 191.4
[M]- 389.17785 191.4
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.