CID 459129

P-[4-(1-piperidyl)-2-pyrimidylsulfamyl]-acetanilide

Structural Information

Molecular Formula
C17H21N5O3S
SMILES
CC(=O)NC1=CC=C(C=C1)S(=O)(=O)NC2=NC=CC(=N2)N3CCCCC3
InChI
InChI=1S/C17H21N5O3S/c1-13(23)19-14-5-7-15(8-6-14)26(24,25)21-17-18-10-9-16(20-17)22-11-3-2-4-12-22/h5-10H,2-4,11-12H2,1H3,(H,19,23)(H,18,20,21)
InChIKey
LZTSLTJMWXELJD-UHFFFAOYSA-N
Compound name
N-[4-[(4-piperidin-1-ylpyrimidin-2-yl)sulfamoyl]phenyl]acetamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

375.1365 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 376.14378 185.1
[M+Na]+ 398.12572 189.5
[M-H]- 374.12922 189.9
[M+NH4]+ 393.17032 191.9
[M+K]+ 414.09966 184.0
[M+H-H2O]+ 358.13376 174.5
[M+HCOO]- 420.13470 197.1
[M+CH3COO]- 434.15035 217.0
[M+Na-2H]- 396.11117 189.1
[M]+ 375.13595 182.3
[M]- 375.13705 182.3
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.