CID 3050551

Brn 1273129

Structural Information

Molecular Formula
C19H28ClN3O3S
SMILES
CC1=CC(=C(C=C1NC(=O)CN2CCCCC2)Cl)S(=O)(=O)N3CCCCC3
InChI
InChI=1S/C19H28ClN3O3S/c1-15-12-18(27(25,26)23-10-6-3-7-11-23)16(20)13-17(15)21-19(24)14-22-8-4-2-5-9-22/h12-13H,2-11,14H2,1H3,(H,21,24)
InChIKey
PXYIDIJISLKENI-UHFFFAOYSA-N
Compound name
N-(5-chloro-2-methyl-4-piperidin-1-ylsulfonylphenyl)-2-piperidin-1-ylacetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

413.154 Da
Monoisotopic Mass

3.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 414.16128 195.4
[M+Na]+ 436.14322 198.1
[M-H]- 412.14672 200.4
[M+NH4]+ 431.18782 203.5
[M+K]+ 452.11716 192.3
[M+H-H2O]+ 396.15126 186.3
[M+HCOO]- 458.15220 198.3
[M+CH3COO]- 472.16785 220.8
[M+Na-2H]- 434.12867 193.6
[M]+ 413.15345 192.1
[M]- 413.15455 192.1
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.