CID 16643177

4-(aminomethyl)-n-(oxolan-2-ylmethyl)benzene-1-sulfonamide hydrochloride

Structural Information

Molecular Formula
C12H18N2O3S
SMILES
C1CC(OC1)CNS(=O)(=O)C2=CC=C(C=C2)CN
InChI
InChI=1S/C12H18N2O3S/c13-8-10-3-5-12(6-4-10)18(15,16)14-9-11-2-1-7-17-11/h3-6,11,14H,1-2,7-9,13H2
InChIKey
KFBZZAKDVPFCIN-UHFFFAOYSA-N
Compound name
4-(aminomethyl)-N-(oxolan-2-ylmethyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

270.10382 Da
Monoisotopic Mass

0.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 271.11110 160.2
[M+Na]+ 293.09304 168.2
[M+NH4]+ 288.13764 167.2
[M+K]+ 309.06698 163.8
[M-H]- 269.09654 164.1
[M+Na-2H]- 291.07849 164.6
[M]+ 270.10327 162.6
[M]- 270.10437 162.6
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.