CID 3773167

327088-17-5

Structural Information

Molecular Formula
C15H25N3O2S
SMILES
CCN(CC)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)N
InChI
InChI=1S/C15H25N3O2S/c1-3-17(4-2)15-9-8-13(12-14(15)16)21(19,20)18-10-6-5-7-11-18/h8-9,12H,3-7,10-11,16H2,1-2H3
InChIKey
PMNGXIPICXHZJG-UHFFFAOYSA-N
Compound name
1-N,1-N-diethyl-4-piperidin-1-ylsulfonylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

311.16675 Da
Monoisotopic Mass

2.1
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 312.17403 172.1
[M+Na]+ 334.15597 176.3
[M-H]- 310.15947 177.3
[M+NH4]+ 329.20057 185.5
[M+K]+ 350.12991 172.9
[M+H-H2O]+ 294.16401 163.6
[M+HCOO]- 356.16495 186.4
[M+CH3COO]- 370.18060 210.4
[M+Na-2H]- 332.14142 173.0
[M]+ 311.16620 170.6
[M]- 311.16730 170.6
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.