CID 86775336

5-n-(azepan-4-yl)-2-n,2-n-dimethylpyridine-2,5-diamine trihydrochloride

Structural Information

Molecular Formula
C13H22N4
SMILES
CN(C)C1=NC=C(C=C1)NC2CCCNCC2
InChI
InChI=1S/C13H22N4/c1-17(2)13-6-5-12(10-15-13)16-11-4-3-8-14-9-7-11/h5-6,10-11,14,16H,3-4,7-9H2,1-2H3
InChIKey
WEEPSNPAXFSEPX-UHFFFAOYSA-N
Compound name
5-N-(azepan-4-yl)-2-N,2-N-dimethylpyridine-2,5-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

234.18445 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 235.19173 154.5
[M+Na]+ 257.17367 156.3
[M-H]- 233.17717 158.5
[M+NH4]+ 252.21827 167.6
[M+K]+ 273.14761 158.3
[M+H-H2O]+ 217.18171 144.6
[M+HCOO]- 279.18265 172.7
[M+CH3COO]- 293.19830 198.0
[M+Na-2H]- 255.15912 158.8
[M]+ 234.18390 145.7
[M]- 234.18500 145.7
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.