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 163.6
[M+Na]+ 306.12466 168.6
[M-H]- 282.12816 169.1
[M+NH4]+ 301.16926 178.1
[M+K]+ 322.09860 165.7
[M+H-H2O]+ 266.13270 155.5
[M+HCOO]- 328.13364 178.5
[M+CH3COO]- 342.14929 204.4
[M+Na-2H]- 304.11011 165.3
[M]+ 283.13489 161.3
[M]- 283.13599 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.