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]+ 235.191726 154.5
[M+Na]+ 257.173668 156.3
[M-H]- 233.177174 158.5
[M+NH4]+ 252.218273 167.6
[M+K]+ 273.147608 158.3
[M+H-H2O]+ 217.181710 144.6
[M+HCOO]- 279.182651 172.7
[M+CH3COO]- 293.198301 198.0
[M+Na-2H]- 255.159116 158.8
[M]+ 234.18390142 145.7
[M]- 234.18499858 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.