CID 2061233

109097-77-0

Structural Information

Molecular Formula
C12H17N3O2S
SMILES
C1CCC(=NCC1)NS(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C12H17N3O2S/c13-10-5-7-11(8-6-10)18(16,17)15-12-4-2-1-3-9-14-12/h5-8H,1-4,9,13H2,(H,14,15)
InChIKey
VUZMDIDJVPWRSO-UHFFFAOYSA-N
Compound name
4-amino-N-(3,4,5,6-tetrahydro-2H-azepin-7-yl)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

0
Patents

267.10416 Da
Monoisotopic Mass

0.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 268.11144 161.2
[M+Na]+ 290.09338 169.1
[M+NH4]+ 285.13798 167.5
[M+K]+ 306.06732 163.6
[M-H]- 266.09688 163.9
[M+Na-2H]- 288.07883 167.3
[M]+ 267.10361 163.3
[M]- 267.10471 163.3
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.