CID 3024950

Piperazine, 1-((4-amino-5-chloro-2-methoxyphenyl)sulfonyl)-4-methyl-

Structural Information

Molecular Formula
C12H18ClN3O3S
SMILES
CN1CCN(CC1)S(=O)(=O)C2=C(C=C(C(=C2)Cl)N)OC
InChI
InChI=1S/C12H18ClN3O3S/c1-15-3-5-16(6-4-15)20(17,18)12-7-9(13)10(14)8-11(12)19-2/h7-8H,3-6,14H2,1-2H3
InChIKey
YLZSRIRHRUXJFZ-UHFFFAOYSA-N
Compound name
2-chloro-5-methoxy-4-(4-methylpiperazin-1-yl)sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

319.07574 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 320.08302 169.9
[M+Na]+ 342.06496 178.2
[M-H]- 318.06846 173.6
[M+NH4]+ 337.10956 182.7
[M+K]+ 358.03890 173.2
[M+H-H2O]+ 302.07300 162.8
[M+HCOO]- 364.07394 178.0
[M+CH3COO]- 378.08959 204.1
[M+Na-2H]- 340.05041 170.5
[M]+ 319.07519 171.4
[M]- 319.07629 171.4
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

patents stripe