CID 3042856

60644-96-4

Structural Information

Molecular Formula
C23H30N2O2S
SMILES
CCC(=O)C1(CCN(CC1)CCC2=CC=CS2)N(C3=CC=CC=C3)C(=O)CC
InChI
InChI=1S/C23H30N2O2S/c1-3-21(26)23(25(22(27)4-2)19-9-6-5-7-10-19)13-16-24(17-14-23)15-12-20-11-8-18-28-20/h5-11,18H,3-4,12-17H2,1-2H3
InChIKey
XIWFSYHQMJMNBR-UHFFFAOYSA-N
Compound name
N-phenyl-N-[4-propanoyl-1-(2-thiophen-2-ylethyl)piperidin-4-yl]propanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

398.2028 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 399.21008 198.6
[M+Na]+ 421.19202 200.8
[M-H]- 397.19552 206.7
[M+NH4]+ 416.23662 212.0
[M+K]+ 437.16596 197.0
[M+H-H2O]+ 381.20006 189.4
[M+HCOO]- 443.20100 211.9
[M+CH3COO]- 457.21665 224.0
[M+Na-2H]- 419.17747 194.9
[M]+ 398.20225 199.2
[M]- 398.20335 199.2
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

patents stripe