CID 6449657

4-amino-n-(1-methylazepan-2-ylidene)benzene-1-sulfonamide

Structural Information

Molecular Formula
C13H19N3O2S
SMILES
CN\1CCCCC/C1=N/S(=O)(=O)C2=CC=C(C=C2)N
InChI
InChI=1S/C13H19N3O2S/c1-16-10-4-2-3-5-13(16)15-19(17,18)12-8-6-11(14)7-9-12/h6-9H,2-5,10,14H2,1H3/b15-13-
InChIKey
VIUXQTIZQWJGKF-SQFISAMPSA-N
Compound name
(NZ)-4-amino-N-(1-methylazepan-2-ylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
2
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]+ 282.127076 164.6
[M+Na]+ 304.109018 168.1
[M-H]- 280.112524 171.0
[M+NH4]+ 299.153623 178.0
[M+K]+ 320.082958 169.8
[M+H-H2O]+ 264.117060 156.3
[M+HCOO]- 326.118001 180.0
[M+CH3COO]- 340.133651 202.5
[M+Na-2H]- 302.094466 166.3
[M]+ 281.11925142 158.8
[M]- 281.12034858 158.8
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.