CID 86775336

1803581-47-6

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 156.3
[M+Na]+ 257.17367 164.5
[M+NH4]+ 252.21827 163.1
[M+K]+ 273.14761 159.9
[M-H]- 233.17717 159.7
[M+Na-2H]- 255.15912 162.9
[M]+ 234.18390 158.2
[M]- 234.18500 158.2
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.