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 157.3
[M+Na]+ 288.05442 168.1
[M-H]- 264.05792 160.9
[M+NH4]+ 283.09902 175.6
[M+K]+ 304.02836 165.0
[M+H-H2O]+ 248.06246 151.4
[M+HCOO]- 310.06340 170.7
[M+CH3COO]- 324.07905 198.8
[M+Na-2H]- 286.03987 157.7
[M]+ 265.06465 165.3
[M]- 265.06575 165.3
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.