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]+ 306.12708 168.0
[M+Na]+ 328.10902 174.2
[M-H]- 304.11252 173.6
[M+NH4]+ 323.15362 181.8
[M+K]+ 344.08296 168.4
[M+H-H2O]+ 288.11706 159.9
[M+HCOO]- 350.11800 187.7
[M+CH3COO]- 364.13365 208.1
[M+Na-2H]- 326.09447 171.7
[M]+ 305.11925 167.1
[M]- 305.12035 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

No literature data available for this compound.

Patent stripe

No patent data available for this compound.