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]-3-pyridinyl] 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]+ 322.248916 183.5
[M+Na]+ 344.230858 186.6
[M-H]- 320.234364 187.3
[M+NH4]+ 339.275463 197.3
[M+K]+ 360.204798 186.1
[M+H-H2O]+ 304.238900 174.0
[M+HCOO]- 366.239841 206.5
[M+CH3COO]- 380.255491 221.5
[M+Na-2H]- 342.216306 184.2
[M]+ 321.24109142 190.0
[M]- 321.24218858 190.0
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.