CID 62688209

1-[2-(dimethylamino)ethyl]-3,5-dimethyl-1h-pyrazole-4-sulfonyl chloride hydrochloride

Structural Information

Molecular Formula
C9H16ClN3O2S
SMILES
CC1=C(C(=NN1CCN(C)C)C)S(=O)(=O)Cl
InChI
InChI=1S/C9H16ClN3O2S/c1-7-9(16(10,14)15)8(2)13(11-7)6-5-12(3)4/h5-6H2,1-4H3
InChIKey
KANFUIOTPWCHGF-UHFFFAOYSA-N
Compound name
1-[2-(dimethylamino)ethyl]-3,5-dimethylpyrazole-4-sulfonyl chloride
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.0652 Da
Monoisotopic Mass

1.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.07248 160.4
[M+Na]+ 288.05442 170.6
[M+NH4]+ 283.09902 166.8
[M+K]+ 304.02836 165.8
[M-H]- 264.05792 159.8
[M+Na-2H]- 286.03987 163.2
[M]+ 265.06465 162.2
[M]- 265.06575 162.2
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.