CID 3074946

169128-31-8

Structural Information

Molecular Formula
C14H23N3O2
SMILES
CCCCN(C)CC1=C(C=CC=N1)OC(=O)N(C)C
InChI
InChI=1S/C14H23N3O2/c1-5-6-10-17(4)11-12-13(8-7-9-15-12)19-14(18)16(2)3/h7-9H,5-6,10-11H2,1-4H3
InChIKey
LNKJSTYGXVZHIF-UHFFFAOYSA-N
Compound name
[2-[[butyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

265.17902 Da
Monoisotopic Mass

1.7
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 266.186296 165.1
[M+Na]+ 288.168238 169.9
[M-H]- 264.171744 169.6
[M+NH4]+ 283.212843 181.1
[M+K]+ 304.142178 170.3
[M+H-H2O]+ 248.176280 156.3
[M+HCOO]- 310.177221 189.4
[M+CH3COO]- 324.192871 209.6
[M+Na-2H]- 286.153686 167.9
[M]+ 265.17847142 170.1
[M]- 265.17956858 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

No patent data available for this compound.