CID 212053

23826-79-1

Structural Information

Molecular Formula
C16H29N3
SMILES
CCCCCCN(CCN(C)C)C1=NC=CC(=C1)C
InChI
InChI=1S/C16H29N3/c1-5-6-7-8-11-19(13-12-18(3)4)16-14-15(2)9-10-17-16/h9-10,14H,5-8,11-13H2,1-4H3
InChIKey
QLEQZLPRFZUBCL-UHFFFAOYSA-N
Compound name
N'-hexyl-N,N-dimethyl-N'-(4-methylpyridin-2-yl)ethane-1,2-diamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

2
Patents

263.23615 Da
Monoisotopic Mass

4.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 264.24343 167.7
[M+Na]+ 286.22537 178.2
[M+NH4]+ 281.26997 175.4
[M+K]+ 302.19931 170.7
[M-H]- 262.22887 171.2
[M+Na-2H]- 284.21082 173.8
[M]+ 263.23560 170.1
[M]- 263.23670 170.1
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

patents stripe