CID 45939

N-4-toluenesulfonyl, isoquinuclidylformamide

Structural Information

Molecular Formula
C15H20N2O3S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)N(C=O)N2CC3CCC2CC3
InChI
InChI=1S/C15H20N2O3S/c1-12-2-8-15(9-3-12)21(19,20)17(11-18)16-10-13-4-6-14(16)7-5-13/h2-3,8-9,11,13-14H,4-7,10H2,1H3
InChIKey
QEOXXJRDQNGQLQ-UHFFFAOYSA-N
Compound name
N-(2-azabicyclo[2.2.2]octan-2-yl)-N-(4-methylphenyl)sulfonylformamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

308.11948 Da
Monoisotopic Mass

2.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 309.126756 166.5
[M+Na]+ 331.108698 169.8
[M-H]- 307.112204 165.4
[M+NH4]+ 326.153303 184.7
[M+K]+ 347.082638 168.0
[M+H-H2O]+ 291.116740 160.5
[M+HCOO]- 353.117681 172.8
[M+CH3COO]- 367.133331 175.1
[M+Na-2H]- 329.094146 176.5
[M]+ 308.11893142 171.3
[M]- 308.12002858 171.3
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.