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]pyridin-3-yl] 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]+ 308.23326 179.0
[M+Na]+ 330.21520 182.5
[M-H]- 306.21870 182.9
[M+NH4]+ 325.25980 193.3
[M+K]+ 346.18914 182.2
[M+H-H2O]+ 290.22324 169.6
[M+HCOO]- 352.22418 202.3
[M+CH3COO]- 366.23983 218.5
[M+Na-2H]- 328.20065 180.2
[M]+ 307.22543 185.1
[M]- 307.22653 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.