CID 25247408

1019006-27-9

Structural Information

Molecular Formula

C₁₀H₁₈N₄O₂S

SMILES

CCN1C=C(C=N1)S(=O)(=O)N2CCC(CC2)N

InChI

InChI=1S/C10H18N4O2S/c1-2-13-8-10(7-12-13)17(15,16)14-5-3-9(11)4-6-14/h7-9H,2-6,11H2,1H3

InChIKey

BGPWUPUFAAFZJE-UHFFFAOYSA-N

Compound name

1-(1-ethylpyrazol-4-yl)sulfonylpiperidin-4-amine

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 0
Patents: 258.11505 Da
Monoisotopic Mass: -0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Å²) per adduct calculated using CCSbase.
Adduct	m/z	Predicted CCS (Å²)
[M+H]+	259.122326	158.7
[M+Na]+	281.104268	166.1
[M-H]-	257.107774	161.0
[M+NH4]+	276.148873	173.4
[M+K]+	297.078208	162.6
[M+H-H2O]+	241.112310	150.9
[M+HCOO]-	303.113251	171.6
[M+CH3COO]-	317.128901	192.4
[M+Na-2H]-	279.089716	159.1
[M]+	258.11450142	156.8
[M]-	258.11559858	156.8

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.