CID 132302

4-[2-(hydroxymethyl)pyrimidin-4-yl]-n,n-dimethylpiperazine-1-sulfonamide

Structural Information

Molecular Formula
C11H19N5O3S
SMILES
CN(C)S(=O)(=O)N1CCN(CC1)C2=NC(=NC=C2)CO
InChI
InChI=1S/C11H19N5O3S/c1-14(2)20(18,19)16-7-5-15(6-8-16)11-3-4-12-10(9-17)13-11/h3-4,17H,5-9H2,1-2H3
InChIKey
XDTHNROWHAAVPJ-UHFFFAOYSA-N
Compound name
4-[2-(hydroxymethyl)pyrimidin-4-yl]-N,N-dimethylpiperazine-1-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

10
References

42
Patents

301.12085 Da
Monoisotopic Mass

-1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 302.12813 168.1
[M+Na]+ 324.11007 174.4
[M-H]- 300.11357 169.1
[M+NH4]+ 319.15467 177.6
[M+K]+ 340.08401 171.2
[M+H-H2O]+ 284.11811 158.9
[M+HCOO]- 346.11905 178.2
[M+CH3COO]- 360.13470 202.2
[M+Na-2H]- 322.09552 171.0
[M]+ 301.12030 167.8
[M]- 301.12140 167.8
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe