CID 3074953

169128-39-6

Structural Information

Molecular Formula
C17H29N3O2
SMILES
CCCCCCCN(C)CC1=C(C=CC=N1)OC(=O)N(C)C
InChI
InChI=1S/C17H29N3O2/c1-5-6-7-8-9-13-20(4)14-15-16(11-10-12-18-15)22-17(21)19(2)3/h10-12H,5-9,13-14H2,1-4H3
InChIKey
XLJJWCJXUGLXFT-UHFFFAOYSA-N
Compound name
[2-[[heptyl(methyl)amino]methyl]-3-pyridinyl] N,N-dimethylcarbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

307.22598 Da
Monoisotopic Mass

3.4
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 308.233256 179.0
[M+Na]+ 330.215198 182.5
[M-H]- 306.218704 182.9
[M+NH4]+ 325.259803 193.3
[M+K]+ 346.189138 182.2
[M+H-H2O]+ 290.223240 169.6
[M+HCOO]- 352.224181 202.3
[M+CH3COO]- 366.239831 218.5
[M+Na-2H]- 328.200646 180.2
[M]+ 307.22543142 185.1
[M]- 307.22652858 185.1
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.