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 161.5
[M+Na]+ 303.08862 170.6
[M+NH4]+ 298.13322 167.5
[M+K]+ 319.06256 166.4
[M-H]- 279.09212 163.2
[M+Na-2H]- 301.07407 167.4
[M]+ 280.09885 163.4
[M]- 280.09995 163.4
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

No patent data available for this compound.