CID 9589298

Brn 0234737

Structural Information

Molecular Formula
C13H19N3O2S
SMILES
C/C(=N\S(=O)(=O)C1=CC=C(C=C1)N)/N2CCCCC2
InChI
InChI=1S/C13H19N3O2S/c1-11(16-9-3-2-4-10-16)15-19(17,18)13-7-5-12(14)6-8-13/h5-8H,2-4,9-10,14H2,1H3/b15-11+
InChIKey
XHRJHQOZQVPNDZ-RVDMUPIBSA-N
Compound name
(NE)-4-amino-N-(1-piperidin-1-ylethylidene)benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1198 Da
Monoisotopic Mass

1.3
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12708 163.2
[M+Na]+ 304.10902 167.9
[M-H]- 280.11252 168.5
[M+NH4]+ 299.15362 177.6
[M+K]+ 320.08296 164.3
[M+H-H2O]+ 264.11706 155.1
[M+HCOO]- 326.11800 178.5
[M+CH3COO]- 340.13365 201.0
[M+Na-2H]- 302.09447 165.6
[M]+ 281.11925 159.7
[M]- 281.12035 159.7
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.