CID 3048631

Usaf ab-430

Structural Information

Molecular Formula
C20H22Cl2N2OS
SMILES
C1CCN(CC1)CCC(=O)NC2=C(C=C(C=C2)Cl)SC3=CC=C(C=C3)Cl
InChI
InChI=1S/C20H22Cl2N2OS/c21-15-4-7-17(8-5-15)26-19-14-16(22)6-9-18(19)23-20(25)10-13-24-11-2-1-3-12-24/h4-9,14H,1-3,10-13H2,(H,23,25)
InChIKey
KCGUXDJRVTZQAT-UHFFFAOYSA-N
Compound name
N-[4-chloro-2-(4-chlorophenyl)sulfanylphenyl]-3-piperidin-1-ylpropanamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

408.08298 Da
Monoisotopic Mass

5.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 409.09026 191.6
[M+Na]+ 431.07220 196.9
[M-H]- 407.07570 198.0
[M+NH4]+ 426.11680 202.2
[M+K]+ 447.04614 188.8
[M+H-H2O]+ 391.08024 183.3
[M+HCOO]- 453.08118 195.6
[M+CH3COO]- 467.09683 199.4
[M+Na-2H]- 429.05765 189.9
[M]+ 408.08243 192.8
[M]- 408.08353 192.8
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.