CID 204723

Benzenesulfonamide, n-(4-(1-pyrrolidinyl)-2-butynyl)-, monohydrochloride

Structural Information

Molecular Formula
C14H18N2O2S
SMILES
C1CCN(C1)CC#CCNS(=O)(=O)C2=CC=CC=C2
InChI
InChI=1S/C14H18N2O2S/c17-19(18,14-8-2-1-3-9-14)15-10-4-5-11-16-12-6-7-13-16/h1-3,8-9,15H,6-7,10-13H2
InChIKey
ZMMDIGLRPKVOBW-UHFFFAOYSA-N
Compound name
N-(4-pyrrolidin-1-ylbut-2-ynyl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

278.1089 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 279.11618 172.9
[M+Na]+ 301.09812 181.1
[M-H]- 277.10162 175.7
[M+NH4]+ 296.14272 187.3
[M+K]+ 317.07206 175.2
[M+H-H2O]+ 261.10616 159.2
[M+HCOO]- 323.10710 183.6
[M+CH3COO]- 337.12275 200.5
[M+Na-2H]- 299.08357 173.1
[M]+ 278.10835 166.7
[M]- 278.10945 166.7
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.