CID 3070132

85868-60-6

Structural Information

Molecular Formula
C21H29N3O4S
SMILES
COC1=CC=C(C=C1)N2CCN(CC2)CCCOC3=CC=C(C=C3)NS(=O)(=O)C
InChI
InChI=1S/C21H29N3O4S/c1-27-20-10-6-19(7-11-20)24-15-13-23(14-16-24)12-3-17-28-21-8-4-18(5-9-21)22-29(2,25)26/h4-11,22H,3,12-17H2,1-2H3
InChIKey
IAIVBMQVKMKUJA-UHFFFAOYSA-N
Compound name
N-[4-[3-[4-(4-methoxyphenyl)piperazin-1-yl]propoxy]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.18787 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.19515 199.3
[M+Na]+ 442.17709 203.2
[M-H]- 418.18059 204.9
[M+NH4]+ 437.22169 206.2
[M+K]+ 458.15103 198.1
[M+H-H2O]+ 402.18513 188.4
[M+HCOO]- 464.18607 211.2
[M+CH3COO]- 478.20172 224.6
[M+Na-2H]- 440.16254 200.7
[M]+ 419.18732 201.0
[M]- 419.18842 201.0
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.