CID 3074955

169128-41-0

Structural Information

Molecular Formula
C18H31N3O2
SMILES
CCCCCCCCN(C)CC1=C(C=CC=N1)OC(=O)N(C)C
InChI
InChI=1S/C18H31N3O2/c1-5-6-7-8-9-10-14-21(4)15-16-17(12-11-13-19-16)23-18(22)20(2)3/h11-13H,5-10,14-15H2,1-4H3
InChIKey
OYMWIVRXNSYFLR-UHFFFAOYSA-N
Compound name
[2-[[methyl(octyl)amino]methyl]pyridin-3-yl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

321.24164 Da
Monoisotopic Mass

3.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 322.24892 181.6
[M+Na]+ 344.23086 190.4
[M+NH4]+ 339.27546 187.3
[M+K]+ 360.20480 184.2
[M-H]- 320.23436 183.4
[M+Na-2H]- 342.21631 185.8
[M]+ 321.24109 183.0
[M]- 321.24219 183.0
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.