CID 3087198

113559-58-3

Structural Information

Molecular Formula
C19H24N2O3S2
SMILES
CS(=O)(=O)NC1=CC=C(C=C1)C(=O)C2CCN(CC2)CCC3=CC=CS3
InChI
InChI=1S/C19H24N2O3S2/c1-26(23,24)20-17-6-4-15(5-7-17)19(22)16-8-11-21(12-9-16)13-10-18-3-2-14-25-18/h2-7,14,16,20H,8-13H2,1H3
InChIKey
RHFYPPIKIIGGOR-UHFFFAOYSA-N
Compound name
N-[4-[1-(2-thiophen-2-ylethyl)piperidine-4-carbonyl]phenyl]methanesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

392.12283 Da
Monoisotopic Mass

2.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 393.13011 191.5
[M+Na]+ 415.11205 196.2
[M-H]- 391.11555 198.6
[M+NH4]+ 410.15665 203.2
[M+K]+ 431.08599 190.2
[M+H-H2O]+ 375.12009 183.8
[M+HCOO]- 437.12103 200.3
[M+CH3COO]- 451.13668 216.5
[M+Na-2H]- 413.09750 189.8
[M]+ 392.12228 191.5
[M]- 392.12338 191.5
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

patents stripe