CID 508739

2-thiophenepentanamide, n-[1-[(4-chlorophenyl)methyl]-3-pyrrolidinyl]-.delta.oxo-

Structural Information

Molecular Formula
C20H23ClN2O2S
SMILES
C1CN(CC1NC(=O)CCCC(=O)C2=CC=CS2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H23ClN2O2S/c21-16-8-6-15(7-9-16)13-23-11-10-17(14-23)22-20(25)5-1-3-18(24)19-4-2-12-26-19/h2,4,6-9,12,17H,1,3,5,10-11,13-14H2,(H,22,25)
InChIKey
RZHMFUJSAMFMQB-UHFFFAOYSA-N
Compound name
N-[1-[(4-chlorophenyl)methyl]pyrrolidin-3-yl]-5-oxo-5-thiophen-2-ylpentanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

390.11688 Da
Monoisotopic Mass

3.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 391.12416 196.0
[M+Na]+ 413.10610 201.2
[M-H]- 389.10960 204.3
[M+NH4]+ 408.15070 210.5
[M+K]+ 429.08004 195.0
[M+H-H2O]+ 373.11414 188.4
[M+HCOO]- 435.11508 207.6
[M+CH3COO]- 449.13073 216.7
[M+Na-2H]- 411.09155 190.1
[M]+ 390.11633 199.0
[M]- 390.11743 199.0
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.