CID 212054

23826-80-4

Structural Information

Molecular Formula
C17H31N3
SMILES
CCCCCCCN(CCCN(C)C)C1=CC=CC=N1
InChI
InChI=1S/C17H31N3/c1-4-5-6-7-10-15-20(16-11-14-19(2)3)17-12-8-9-13-18-17/h8-9,12-13H,4-7,10-11,14-16H2,1-3H3
InChIKey
BBEIBFUINWSRLG-UHFFFAOYSA-N
Compound name
N'-heptyl-N,N-dimethyl-N'-pyridin-2-ylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

277.2518 Da
Monoisotopic Mass

4.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 278.259076 173.5
[M+Na]+ 300.241018 176.0
[M-H]- 276.244524 176.8
[M+NH4]+ 295.285623 188.8
[M+K]+ 316.214958 174.6
[M+H-H2O]+ 260.249060 163.9
[M+HCOO]- 322.250001 197.0
[M+CH3COO]- 336.265651 214.8
[M+Na-2H]- 298.226466 176.5
[M]+ 277.25125142 177.8
[M]- 277.25234858 177.8
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.