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

543
Patents

280.12454 Da
Monoisotopic Mass

1.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 281.13182 174.0
[M+Na]+ 303.11376 180.5
[M-H]- 279.11726 175.8
[M+NH4]+ 298.15836 190.9
[M+K]+ 319.08770 178.9
[M+H-H2O]+ 263.12180 173.7
[M+HCOO]- 325.12274 180.2
[M+CH3COO]- 339.13839 181.7
[M+Na-2H]- 301.09921 181.6
[M]+ 280.12399 172.9
[M]- 280.12509 172.9
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

patents stripe