CID 508773

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

Structural Information

Molecular Formula
C22H28ClN3O2S
SMILES
CC1=C(SC=C1)C(=O)NC(C)C(=O)NCC2CCN(CC2)CC3=CC=C(C=C3)Cl
InChI
InChI=1S/C22H28ClN3O2S/c1-15-9-12-29-20(15)22(28)25-16(2)21(27)24-13-17-7-10-26(11-8-17)14-18-3-5-19(23)6-4-18/h3-6,9,12,16-17H,7-8,10-11,13-14H2,1-2H3,(H,24,27)(H,25,28)
InChIKey
ALNTTYITTXJPKU-UHFFFAOYSA-N
Compound name
N-[1-[[1-[(4-chlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]-3-methylthiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

433.1591 Da
Monoisotopic Mass

4.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 434.16638 204.3
[M+Na]+ 456.14832 207.1
[M-H]- 432.15182 211.6
[M+NH4]+ 451.19292 214.8
[M+K]+ 472.12226 200.9
[M+H-H2O]+ 416.15636 196.0
[M+HCOO]- 478.15730 212.9
[M+CH3COO]- 492.17295 229.6
[M+Na-2H]- 454.13377 198.7
[M]+ 433.15855 204.8
[M]- 433.15965 204.8
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.