CID 3065821

N-(p-amino-alpha-(piperidinocarbonyl)phenethyl)-p-toluenesulfonamide

Structural Information

Molecular Formula
C21H27N3O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)N)C(=O)N3CCCCC3
InChI
InChI=1S/C21H27N3O3S/c1-16-5-11-19(12-6-16)28(26,27)23-20(15-17-7-9-18(22)10-8-17)21(25)24-13-3-2-4-14-24/h5-12,20,23H,2-4,13-15,22H2,1H3
InChIKey
TWMINYKPGPNDNP-UHFFFAOYSA-N
Compound name
N-[3-(4-aminophenyl)-1-oxo-1-piperidin-1-ylpropan-2-yl]-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

401.1773 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 402.18458 193.6
[M+Na]+ 424.16652 195.8
[M-H]- 400.17002 199.8
[M+NH4]+ 419.21112 201.7
[M+K]+ 440.14046 190.5
[M+H-H2O]+ 384.17456 183.9
[M+HCOO]- 446.17550 205.3
[M+CH3COO]- 460.19115 223.6
[M+Na-2H]- 422.15197 193.5
[M]+ 401.17675 189.8
[M]- 401.17785 189.8
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.