CID 3055320

72278-78-5

Structural Information

Molecular Formula
C19H26N2O3S
SMILES
CC(CN1CCN(CC1)S(=O)(=O)C)C2=CC3=C(C=C2)C=C(C=C3)OC
InChI
InChI=1S/C19H26N2O3S/c1-15(14-20-8-10-21(11-9-20)25(3,22)23)16-4-5-18-13-19(24-2)7-6-17(18)12-16/h4-7,12-13,15H,8-11,14H2,1-3H3
InChIKey
LSGMQPLJURPZAC-UHFFFAOYSA-N
Compound name
1-[2-(6-methoxynaphthalen-2-yl)propyl]-4-methylsulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

362.1664 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 363.17368 185.5
[M+Na]+ 385.15562 191.2
[M-H]- 361.15912 189.3
[M+NH4]+ 380.20022 196.6
[M+K]+ 401.12956 186.7
[M+H-H2O]+ 345.16366 176.6
[M+HCOO]- 407.16460 194.3
[M+CH3COO]- 421.18025 214.1
[M+Na-2H]- 383.14107 186.6
[M]+ 362.16585 187.0
[M]- 362.16695 187.0
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.