CID 14380

Azabon

Structural Information

Molecular Formula

C₁₄H₂₀N₂O₂S

SMILES

C1CC2CCC1CN(C2)S(=O)(=O)C3=CC=C(C=C3)N

InChI

InChI=1S/C14H20N2O2S/c15-13-5-7-14(8-6-13)19(17,18)16-9-11-1-2-12(10-16)4-3-11/h5-8,11-12H,1-4,9-10,15H2

InChIKey

RQBNXPJPWKUTOG-UHFFFAOYSA-N

Compound name

4-(3-azabicyclo[3.2.2]nonan-3-ylsulfonyl)aniline

Related CIDs

2D Structure

compound 2d structure

1
Annotation Hits: 0
References: 547
Patents: 280.12454 Da
Monoisotopic Mass: 1.9
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]+	281.131816	174.0
[M+Na]+	303.113758	180.5
[M-H]-	279.117264	175.8
[M+NH4]+	298.158363	190.9
[M+K]+	319.087698	178.9
[M+H-H2O]+	263.121800	173.7
[M+HCOO]-	325.122741	180.2
[M+CH3COO]-	339.138391	181.7
[M+Na-2H]-	301.099206	181.6
[M]+	280.12399142	172.9
[M]-	280.12508858	172.9

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe