CID 508753

2-thiophenecarboxamide, n-[2-[[[1-[(4-chlorophenyl)methyl]-4-piperidinyl]methyl]amino]-2-oxoethyl]-3-methyl-

Structural Information

Molecular Formula
C21H26ClN3O2S
SMILES
CC1=C(SC=C1)C(=O)NCC(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C21H26ClN3O2S/c1-15-8-11-28-20(15)21(27)24-13-19(26)23-12-16-6-9-25(10-7-16)14-17-2-4-18(22)5-3-17/h2-5,8,11,16H,6-7,9-10,12-14H2,1H3,(H,23,26)(H,24,27)
InChIKey
QKFUILXKUOMENS-UHFFFAOYSA-N
Compound name
N-[2-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-2-oxoethyl]-3-methylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

419.14343 Da
Monoisotopic Mass

3.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 420.15071 200.3
[M+Na]+ 442.13265 203.8
[M-H]- 418.13615 207.6
[M+NH4]+ 437.17725 211.4
[M+K]+ 458.10659 197.2
[M+H-H2O]+ 402.14069 191.8
[M+HCOO]- 464.14163 210.1
[M+CH3COO]- 478.15728 225.7
[M+Na-2H]- 440.11810 196.0
[M]+ 419.14288 200.9
[M]- 419.14398 200.9
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.