CID 4962772

848369-69-7

Structural Information

Molecular Formula
C11H16ClN3O2S
SMILES
CN1CCN(CC1)S(=O)(=O)C2=CC(=C(C=C2)Cl)N
InChI
InChI=1S/C11H16ClN3O2S/c1-14-4-6-15(7-5-14)18(16,17)9-2-3-10(12)11(13)8-9/h2-3,8H,4-7,13H2,1H3
InChIKey
FHORSCVYNQWSDW-UHFFFAOYSA-N
Compound name
2-chloro-5-(4-methylpiperazin-1-yl)sulfonylaniline
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

289.0652 Da
Monoisotopic Mass

0.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 290.07248 162.7
[M+Na]+ 312.05442 170.9
[M-H]- 288.05792 166.3
[M+NH4]+ 307.09902 176.6
[M+K]+ 328.02836 165.4
[M+H-H2O]+ 272.06246 155.7
[M+HCOO]- 334.06340 171.0
[M+CH3COO]- 348.07905 197.6
[M+Na-2H]- 310.03987 164.2
[M]+ 289.06465 162.0
[M]- 289.06575 162.0
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.