CID 3055319

1-(2-(6-methoxy-2-naphthalenyl)propyl)-4-(phenylsulfonyl)piperazine

Structural Information

Molecular Formula
C24H28N2O3S
SMILES
CC(CN1CCN(CC1)S(=O)(=O)C2=CC=CC=C2)C3=CC4=C(C=C3)C=C(C=C4)OC
InChI
InChI=1S/C24H28N2O3S/c1-19(20-8-9-22-17-23(29-2)11-10-21(22)16-20)18-25-12-14-26(15-13-25)30(27,28)24-6-4-3-5-7-24/h3-11,16-17,19H,12-15,18H2,1-2H3
InChIKey
YYAIPGXQQKQDLV-UHFFFAOYSA-N
Compound name
1-(benzenesulfonyl)-4-[2-(6-methoxynaphthalen-2-yl)propyl]piperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

424.18207 Da
Monoisotopic Mass

4.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 425.18935 199.1
[M+Na]+ 447.17129 213.1
[M+NH4]+ 442.21589 206.4
[M+K]+ 463.14523 203.4
[M-H]- 423.17479 204.2
[M+Na-2H]- 445.15674 207.5
[M]+ 424.18152 203.2
[M]- 424.18262 203.2
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.