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]+ 284.142716 163.6
[M+Na]+ 306.124658 168.6
[M-H]- 282.128164 169.1
[M+NH4]+ 301.169263 178.1
[M+K]+ 322.098598 165.7
[M+H-H2O]+ 266.132700 155.5
[M+HCOO]- 328.133641 178.5
[M+CH3COO]- 342.149291 204.4
[M+Na-2H]- 304.110106 165.3
[M]+ 283.13489142 161.3
[M]- 283.13598858 161.3
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.