CID 32865

25295-39-0

Structural Information

Molecular Formula
C18H33N3
SMILES
CCCCCCCCNCC(CN(C)C)C1=CC=CC=N1
InChI
InChI=1S/C18H33N3/c1-4-5-6-7-8-10-13-19-15-17(16-21(2)3)18-12-9-11-14-20-18/h9,11-12,14,17,19H,4-8,10,13,15-16H2,1-3H3
InChIKey
ZZRXJWWZZLIZNB-UHFFFAOYSA-N
Compound name
N,N-dimethyl-N'-octyl-2-pyridin-2-ylpropane-1,3-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

291.26746 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 292.274736 178.0
[M+Na]+ 314.256678 179.6
[M-H]- 290.260184 179.7
[M+NH4]+ 309.301283 192.0
[M+K]+ 330.230618 177.1
[M+H-H2O]+ 274.264720 168.5
[M+HCOO]- 336.265661 199.7
[M+CH3COO]- 350.281311 215.1
[M+Na-2H]- 312.242126 180.1
[M]+ 291.26691142 180.8
[M]- 291.26800858 180.8
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.