CID 5008070

1172365-65-9

Structural Information

Molecular Formula
C13H21N3O2S
SMILES
CN(C)C1=C(C=C(C=C1)S(=O)(=O)N2CCCCC2)N
InChI
InChI=1S/C13H21N3O2S/c1-15(2)13-7-6-11(10-12(13)14)19(17,18)16-8-4-3-5-9-16/h6-7,10H,3-5,8-9,14H2,1-2H3
InChIKey
YUQIXTAEBMVENX-UHFFFAOYSA-N
Compound name
1-N,1-N-dimethyl-4-piperidin-1-ylsulfonylbenzene-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

283.13544 Da
Monoisotopic Mass

1.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 284.14272 163.0
[M+Na]+ 306.12466 172.3
[M+NH4]+ 301.16926 170.2
[M+K]+ 322.09860 165.8
[M-H]- 282.12816 166.4
[M+Na-2H]- 304.11011 168.9
[M]+ 283.13489 165.5
[M]- 283.13599 165.5
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.