CID 45791572

3-amino-n-[(2e)-1-methylazepan-2-ylidene]benzene-1-sulfonamide

Structural Information

Molecular Formula
C13H19N3O2S
SMILES
CN\1CCCCC/C1=N\S(=O)(=O)C2=CC=CC(=C2)N
InChI
InChI=1S/C13H19N3O2S/c1-16-9-4-2-3-8-13(16)15-19(17,18)12-7-5-6-11(14)10-12/h5-7,10H,2-4,8-9,14H2,1H3/b15-13+
InChIKey
FWKBSTOSBAALMT-FYWRMAATSA-N
Compound name
(NE)-3-amino-N-(1-methylazepan-2-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1198 Da
Monoisotopic Mass

1.2
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12708 166.6
[M+Na]+ 304.10902 174.2
[M+NH4]+ 299.15362 172.6
[M+K]+ 320.08296 168.5
[M-H]- 280.11252 169.3
[M+Na-2H]- 302.09447 171.7
[M]+ 281.11925 168.6
[M]- 281.12035 168.6
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.