CID 226987

5448-72-6

Structural Information

Molecular Formula
C13H19N3O2S
SMILES
CC1CCC(=NNS(=O)(=O)C2=CC=C(C=C2)N)CC1
InChI
InChI=1S/C13H19N3O2S/c1-10-2-6-12(7-3-10)15-16-19(17,18)13-8-4-11(14)5-9-13/h4-5,8-10,16H,2-3,6-7,14H2,1H3
InChIKey
VFVBWOASORDSSF-UHFFFAOYSA-N
Compound name
4-amino-N-[(4-methylcyclohexylidene)amino]benzenesulfonamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

281.1198 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 282.12708 161.5
[M+Na]+ 304.10902 166.3
[M-H]- 280.11252 168.2
[M+NH4]+ 299.15362 177.0
[M+K]+ 320.08296 162.2
[M+H-H2O]+ 264.11706 153.7
[M+HCOO]- 326.11800 179.8
[M+CH3COO]- 340.13365 204.5
[M+Na-2H]- 302.09447 164.8
[M]+ 281.11925 157.8
[M]- 281.12035 157.8
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.