CID 76683

4,7,10,13,16-pentaazanonadecanedinitrile

Structural Information

Molecular Formula
C14H29N7
SMILES
C(CNCCNCCNCCNCCNCCC#N)C#N
InChI
InChI=1S/C14H29N7/c15-3-1-5-17-7-9-19-11-13-21-14-12-20-10-8-18-6-2-4-16/h17-21H,1-2,5-14H2
InChIKey
QYNDCVPRVZOXJJ-UHFFFAOYSA-N
Compound name
3-[2-[2-[2-[2-(2-cyanoethylamino)ethylamino]ethylamino]ethylamino]ethylamino]propanenitrile
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

295.24844 Da
Monoisotopic Mass

-2.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 296.25572 166.1
[M+Na]+ 318.23766 168.8
[M-H]- 294.24116 166.4
[M+NH4]+ 313.28226 174.6
[M+K]+ 334.21160 168.9
[M+H-H2O]+ 278.24570 149.5
[M+HCOO]- 340.24664 180.0
[M+CH3COO]- 354.26229 238.4
[M+Na-2H]- 316.22311 168.0
[M]+ 295.24789 158.0
[M]- 295.24899 158.0
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.