CID 43605664

N-(2-amino-2-phenylethyl)-1-methyl-1h-pyrazole-4-sulfonamide hydrochloride

Structural Information

Molecular Formula
C12H16N4O2S
SMILES
CN1C=C(C=N1)S(=O)(=O)NCC(C2=CC=CC=C2)N
InChI
InChI=1S/C12H16N4O2S/c1-16-9-11(7-14-16)19(17,18)15-8-12(13)10-5-3-2-4-6-10/h2-7,9,12,15H,8,13H2,1H3
InChIKey
CGDLFMANIUUMNX-UHFFFAOYSA-N
Compound name
N-(2-amino-2-phenylethyl)-1-methylpyrazole-4-sulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

280.0994 Da
Monoisotopic Mass

-0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.10668 162.1
[M+Na]+ 303.08862 169.5
[M-H]- 279.09212 166.3
[M+NH4]+ 298.13322 176.7
[M+K]+ 319.06256 165.4
[M+H-H2O]+ 263.09666 154.0
[M+HCOO]- 325.09760 179.9
[M+CH3COO]- 339.11325 199.2
[M+Na-2H]- 301.07407 165.0
[M]+ 280.09885 162.8
[M]- 280.09995 162.8
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.