CID 24842558

Nm-590

Structural Information

Molecular Formula
C23H29ClN2OS
SMILES
C1CCN(CC1)CCCC(=O)N(CCSC2=CC=C(C=C2)Cl)C3=CC=CC=C3
InChI
InChI=1S/C23H29ClN2OS/c24-20-11-13-22(14-12-20)28-19-18-26(21-8-3-1-4-9-21)23(27)10-7-17-25-15-5-2-6-16-25/h1,3-4,8-9,11-14H,2,5-7,10,15-19H2
InChIKey
YYHPYZXLMIGNBA-UHFFFAOYSA-N
Compound name
N-[2-(4-chlorophenyl)sulfanylethyl]-N-phenyl-4-piperidin-1-ylbutanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

416.1689 Da
Monoisotopic Mass

5.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 417.17618 199.1
[M+Na]+ 439.15812 201.2
[M-H]- 415.16162 206.3
[M+NH4]+ 434.20272 208.8
[M+K]+ 455.13206 194.4
[M+H-H2O]+ 399.16616 188.9
[M+HCOO]- 461.16710 207.6
[M+CH3COO]- 475.18275 226.0
[M+Na-2H]- 437.14357 197.2
[M]+ 416.16835 200.3
[M]- 416.16945 200.3
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.