CID 3022045

P-amidino-n-(alpha-(piperidinocarbonyl)phenethyl)benzenesulfonamide

Structural Information

Molecular Formula
C21H26N4O3S
SMILES
C1CCN(CC1)C(=O)C(CC2=CC=CC=C2)NS(=O)(=O)C3=CC=C(C=C3)C(=N)N
InChI
InChI=1S/C21H26N4O3S/c22-20(23)17-9-11-18(12-10-17)29(27,28)24-19(15-16-7-3-1-4-8-16)21(26)25-13-5-2-6-14-25/h1,3-4,7-12,19,24H,2,5-6,13-15H2,(H3,22,23)
InChIKey
NQQVPEXSXMYDLT-UHFFFAOYSA-N
Compound name
4-[(1-oxo-3-phenyl-1-piperidin-1-ylpropan-2-yl)sulfamoyl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

414.17258 Da
Monoisotopic Mass

2.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 415.17986 193.9
[M+Na]+ 437.16180 194.1
[M-H]- 413.16530 199.6
[M+NH4]+ 432.20640 200.5
[M+K]+ 453.13574 189.1
[M+H-H2O]+ 397.16984 184.0
[M+HCOO]- 459.17078 205.7
[M+CH3COO]- 473.18643 227.9
[M+Na-2H]- 435.14725 194.6
[M]+ 414.17203 187.8
[M]- 414.17313 187.8
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.