CID 460662

N'-[4-(4-aminophenyl)sulfonylphenyl]propane-1,3-diamine

Structural Information

Molecular Formula
C15H19N3O2S
SMILES
C1=CC(=CC=C1N)S(=O)(=O)C2=CC=C(C=C2)NCCCN
InChI
InChI=1S/C15H19N3O2S/c16-10-1-11-18-13-4-8-15(9-5-13)21(19,20)14-6-2-12(17)3-7-14/h2-9,18H,1,10-11,16-17H2
InChIKey
XKPPYIPZKJXFMO-UHFFFAOYSA-N
Compound name
N'-[4-(4-aminophenyl)sulfonylphenyl]propane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

0
Patents

305.1198 Da
Monoisotopic Mass

1.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 306.127076 168.0
[M+Na]+ 328.109018 174.2
[M-H]- 304.112524 173.6
[M+NH4]+ 323.153623 181.8
[M+K]+ 344.082958 168.4
[M+H-H2O]+ 288.117060 159.9
[M+HCOO]- 350.118001 187.7
[M+CH3COO]- 364.133651 208.1
[M+Na-2H]- 326.094466 171.7
[M]+ 305.11925142 167.1
[M]- 305.12034858 167.1
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.