CID 504351

Akos005839019

Structural Information

Molecular Formula
C13H24N4
SMILES
CCN(CC)CCCNC1=NC(=CC(=N1)C)C
InChI
InChI=1S/C13H24N4/c1-5-17(6-2)9-7-8-14-13-15-11(3)10-12(4)16-13/h10H,5-9H2,1-4H3,(H,14,15,16)
InChIKey
KKBYMIZQJQEDOF-UHFFFAOYSA-N
Compound name
N-(4,6-dimethylpyrimidin-2-yl)-N',N'-diethylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

236.2001 Da
Monoisotopic Mass

2.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 237.20738 159.3
[M+Na]+ 259.18932 165.4
[M-H]- 235.19282 161.3
[M+NH4]+ 254.23392 175.0
[M+K]+ 275.16326 163.5
[M+H-H2O]+ 219.19736 150.5
[M+HCOO]- 281.19830 182.5
[M+CH3COO]- 295.21395 204.3
[M+Na-2H]- 257.17477 164.0
[M]+ 236.19955 162.3
[M]- 236.20065 162.3
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.