CID 508985

2-thiophenecarboxamide, 5-chloro-n-[(1s)-2-[[[1-[(3,4-dichlorophenyl)methyl]-4-piperidinyl]methyl]amino]-1-methyl-2-oxoethyl]-

Structural Information

Molecular Formula
C21H24Cl3N3O2S
SMILES
C[C@@H](C(=O)NCC1CCN(CC1)CC2=CC(=C(C=C2)Cl)Cl)NC(=O)C3=CC=C(S3)Cl
InChI
InChI=1S/C21H24Cl3N3O2S/c1-13(26-21(29)18-4-5-19(24)30-18)20(28)25-11-14-6-8-27(9-7-14)12-15-2-3-16(22)17(23)10-15/h2-5,10,13-14H,6-9,11-12H2,1H3,(H,25,28)(H,26,29)/t13-/m0/s1
InChIKey
AODKZSAOILCQEI-ZDUSSCGKSA-N
Compound name
5-chloro-N-[(2S)-1-[[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]methylamino]-1-oxopropan-2-yl]thiophene-2-carboxamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

487.0655 Da
Monoisotopic Mass

5.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 488.07278 210.4
[M+Na]+ 510.05472 214.6
[M-H]- 486.05822 216.5
[M+NH4]+ 505.09932 219.8
[M+K]+ 526.02866 207.6
[M+H-H2O]+ 470.06276 203.9
[M+HCOO]- 532.06370 209.3
[M+CH3COO]- 546.07935 235.4
[M+Na-2H]- 508.04017 203.3
[M]+ 487.06495 212.8
[M]- 487.06605 212.8
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.