CID 66186546

N-(azetidin-3-yl)-4-methylbenzene-1-sulfonamide hydrochloride

Structural Information

Molecular Formula
C10H14N2O2S
SMILES
CC1=CC=C(C=C1)S(=O)(=O)NC2CNC2
InChI
InChI=1S/C10H14N2O2S/c1-8-2-4-10(5-3-8)15(13,14)12-9-6-11-7-9/h2-5,9,11-12H,6-7H2,1H3
InChIKey
QYQVGVNLYRANBW-UHFFFAOYSA-N
Compound name
N-(azetidin-3-yl)-4-methylbenzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

9
Patents

226.0776 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 227.08488 145.2
[M+Na]+ 249.06682 150.0
[M-H]- 225.07032 148.6
[M+NH4]+ 244.11142 154.6
[M+K]+ 265.04076 149.4
[M+H-H2O]+ 209.07486 132.1
[M+HCOO]- 271.07580 159.6
[M+CH3COO]- 285.09145 188.4
[M+Na-2H]- 247.05227 149.0
[M]+ 226.07705 152.2
[M]- 226.07815 152.2
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

patents stripe