CID 43556367

1-(4-iodobenzenesulfonyl)piperidin-4-amine

Structural Information

Molecular Formula
C11H15IN2O2S
SMILES
C1CN(CCC1N)S(=O)(=O)C2=CC=C(C=C2)I
InChI
InChI=1S/C11H15IN2O2S/c12-9-1-3-11(4-2-9)17(15,16)14-7-5-10(13)6-8-14/h1-4,10H,5-8,13H2
InChIKey
SPFBIKWAGVBODP-UHFFFAOYSA-N
Compound name
1-(4-iodophenyl)sulfonylpiperidin-4-amine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

365.9899 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 366.99718 167.2
[M+Na]+ 388.97912 166.5
[M-H]- 364.98262 164.3
[M+NH4]+ 384.02372 177.6
[M+K]+ 404.95306 168.3
[M+H-H2O]+ 348.98716 156.2
[M+HCOO]- 410.98810 176.4
[M+CH3COO]- 425.00375 200.6
[M+Na-2H]- 386.96457 157.5
[M]+ 365.98935 161.2
[M]- 365.99045 161.2
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.