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 201.9
[M+Na]+ 447.17129 206.5
[M-H]- 423.17479 208.2
[M+NH4]+ 442.21589 209.6
[M+K]+ 463.14523 200.6
[M+H-H2O]+ 407.17933 191.0
[M+HCOO]- 469.18027 210.3
[M+CH3COO]- 483.19592 208.9
[M+Na-2H]- 445.15674 203.0
[M]+ 424.18152 202.1
[M]- 424.18262 202.1
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.