CID 3024951

Piperazine, 1-((2,4,5-trimethoxyphenyl)sulfonyl)-

Structural Information

Molecular Formula
C13H20N2O5S
SMILES
COC1=CC(=C(C=C1OC)S(=O)(=O)N2CCNCC2)OC
InChI
InChI=1S/C13H20N2O5S/c1-18-10-8-12(20-3)13(9-11(10)19-2)21(16,17)15-6-4-14-5-7-15/h8-9,14H,4-7H2,1-3H3
InChIKey
CAQYUQLSUQCUAB-UHFFFAOYSA-N
Compound name
1-(2,4,5-trimethoxyphenyl)sulfonylpiperazine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

316.10928 Da
Monoisotopic Mass

0.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 317.11656 170.4
[M+Na]+ 339.09850 176.8
[M-H]- 315.10200 172.7
[M+NH4]+ 334.14310 181.8
[M+K]+ 355.07244 173.8
[M+H-H2O]+ 299.10654 162.4
[M+HCOO]- 361.10748 181.4
[M+CH3COO]- 375.12313 199.6
[M+Na-2H]- 337.08395 172.0
[M]+ 316.10873 172.6
[M]- 316.10983 172.6
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.